China (Mainland)
Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]- CAS NO.240433-82-3
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Keywords
- Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]-
- Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]-
- Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]-
Quick Details
- ProName: Acetamide,N-[2-(5-amino-4-chloro-2H-be...
- CasNo: 240433-82-3
- Application: The Acetamide,N-[2-(5-amino-4-chloro-2...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The Acetamide,N-[2-(5-amino-4-chloro-2...
- LimitNum: 0 Metric Ton
Superiority
The Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]- is an organic compound with the formula C21H27ClN6O4. With the CAS registry number 240433-82-3, the IUPAC name of this chemical is N-[2-(5-amino-4-chlorobenzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]acetamide.
Physical properties about Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.65; (6)ACD/BCF (pH 7.4): 53.91; (7)ACD/KOC (pH 5.5): 601.29; (8)ACD/KOC (pH 7.4): 604.11; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.19 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 119.55 cm3; (15)Molar Volume: 339.9 cm3; (16)Polarizability: 47.39×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.36 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(N(CCOC)CCOC)c(OC)cc1n2nc3ccc(c(Cl)c3n2)N)C
(2)InChI: InChI=1/C21H27ClN6O4/c1-13(29)24-16-11-18(27(7-9-30-2)8-10-31-3)19(32-4)12-17(16)28-25-15-6-5-14(23)20(22)21(15)26-28/h5-6,11-12H,7-10,23H2,1-4H3,(H,24,29)
(3)InChIKey: ZYXGXCVACCEOKX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C21H27ClN6O4/c1-13(29)24-16-11-18(27(7-9-30-2)8-10-31-3)19(32-4)12-17(16)28-25-15-6-5-14(23)20(22)21(15)26-28/h5-6,11-12H,7-10,23H2,1-4H3,(H,24,29)
(5)Std. InChIKey: ZYXGXCVACCEOKX-UHFFFAOYSA-N
Details
The Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]- is an organic compound with the formula C21H27ClN6O4. With the CAS registry number 240433-82-3, the IUPAC name of this chemical is N-[2-(5-amino-4-chlorobenzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]acetamide.
Physical properties about Acetamide,N-[2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.65; (6)ACD/BCF (pH 7.4): 53.91; (7)ACD/KOC (pH 5.5): 601.29; (8)ACD/KOC (pH 7.4): 604.11; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.19 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 119.55 cm3; (15)Molar Volume: 339.9 cm3; (16)Polarizability: 47.39×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.36 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(N(CCOC)CCOC)c(OC)cc1n2nc3ccc(c(Cl)c3n2)N)C
(2)InChI: InChI=1/C21H27ClN6O4/c1-13(29)24-16-11-18(27(7-9-30-2)8-10-31-3)19(32-4)12-17(16)28-25-15-6-5-14(23)20(22)21(15)26-28/h5-6,11-12H,7-10,23H2,1-4H3,(H,24,29)
(3)InChIKey: ZYXGXCVACCEOKX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C21H27ClN6O4/c1-13(29)24-16-11-18(27(7-9-30-2)8-10-31-3)19(32-4)12-17(16)28-25-15-6-5-14(23)20(22)21(15)26-28/h5-6,11-12H,7-10,23H2,1-4H3,(H,24,29)
(5)Std. InChIKey: ZYXGXCVACCEOKX-UHFFFAOYSA-N