Almorexant CAS NO.871224-64-5

he Almorexant with CAS registry number of 871224-64-5 is also known as (2R)-2-((1S)-6,7-Dimethoxy-1-{2-(4-(trifluoromethyl)phenyl)ethyl}-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide. The IUPAC name is 2-[(1S)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide. It belongs to product categories of API Intermediates. In addition, the formula is C₂₉H₃₁F₃N₂O₃ and the molecular weight is 512.56. This chemical is a potential blockbuster drug and it also can produce better quality sleep and fewer side effects than the traditional benzodiazepine and z drugs.

Physical properties about this chemical are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.89; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 50.8 Å²; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 136.2 cm³; (11)Molar Volume: 425.1 cm³; (12)Polarizability: 53.99×10^-24cm³; (13)Surface Tension: 40.9 dyne/cm; (14)Enthalpy of Vaporization: 91.95 kJ/mol; (15)Vapour Pressure: 2.56E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1. SMILES: FC(F)(F)c1ccc(cc1)CC[C@H]2c4cc(OC)c(cc4CCN2[C@H](c3ccccc3)C(=O)NC)OC; 
2. InChI: InChI=1/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1; 
3. InChIKey: DKMACHNQISHMDN-RPLLCQBOBT; 
4. Std. InChI: InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1; 
5. Std. InChIKey: DKMACHNQISHMDN-RPLLCQBOSA-N

he Almorexant with CAS registry number of 871224-64-5 is also known as (2R)-2-((1S)-6,7-Dimethoxy-1-{2-(4-(trifluoromethyl)phenyl)ethyl}-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide. The IUPAC name is 2-[(1S)-6,7-Dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide. It belongs to product categories of API Intermediates. In addition, the formula is C₂₉H₃₁F₃N₂O₃ and the molecular weight is 512.56. This chemical is a potential blockbuster drug and it also can produce better quality sleep and fewer side effects than the traditional benzodiazepine and z drugs.

Physical properties about this chemical are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.89; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 50.8 Å²; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 136.2 cm³; (11)Molar Volume: 425.1 cm³; (12)Polarizability: 53.99×10^-24cm³; (13)Surface Tension: 40.9 dyne/cm; (14)Enthalpy of Vaporization: 91.95 kJ/mol; (15)Vapour Pressure: 2.56E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1. SMILES: FC(F)(F)c1ccc(cc1)CC[C@H]2c4cc(OC)c(cc4CCN2[C@H](c3ccccc3)C(=O)NC)OC; 
2. InChI: InChI=1/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1; 
3. InChIKey: DKMACHNQISHMDN-RPLLCQBOBT; 
4. Std. InChI: InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1; 
5. Std. InChIKey: DKMACHNQISHMDN-RPLLCQBOSA-N