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| CAS No.: | 959122-11-3 |
|---|---|
| Name: | DGAT-1 inhibitor |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C26H24N2O4 |
| Molecular Weight: | 428.488 |
| Synonyms: | DGAT-1Inhibitor 4a;Diacyl glycerolacyltransferase 1 inhibitor;A922500; |
| Density: | 1.323 g/cm3 |
| Boiling Point: | 576.1 °C at 760 mmHg |
| Flash Point: | 302.2 °C |
| Hazard Symbols: | T,N |
| Risk Codes: | 25-36-50 |
| Safety: | 26-45-61 |
| PSA: | 95.50000 |
| LogP: | 5.82720 |
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Specification
The A922500 with the cas number 959122-11-3, is also called Diacyl glycerolacyltransferase 1 inhibitor .The properties of the chemical are: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 194.51; (6)ACD/BCF (pH 7.4): 3.16; (7)ACD/KOC (pH 5.5): 687.57; (8)ACD/KOC (pH 7.4): 11.16; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 95.5 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 122.22 cm3; (15)Molar Volume: 323.6 cm3; (16)Polarizability: 48.45×10-24cm3; (17)Surface Tension: 66.3 dyne/cm; (18)Enthalpy of Vaporization: 90.75 kJ/mol; (19)Vapour Pressure: 4.11×10-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3ccc(cc3)C(=O)[C@@H]4CCC[C@H]4C(=O)O
(2)InChI: InChI=1/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1