Darapladib

The Darapladib, with the CAS registry number 356057-34-6, is also known as 1H-Cyclopentapyrimidine-1-acetamide, N-(2-(diethylamino)ethyl)-2-(((4-fluorophenyl)methyl)thio)-4,5,6,7-tetrahydro-4-oxo-N-((4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)methyl)-. This chemical's molecular formula is C₃₆H₃₈F₄N₄O₂S and molecular weight is 666.77. Its IUPAC name is called N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide. Darapladib is a drug used to inhibit lipoprotein-associated phospholipase A2 (lp-PLA2). As of March 2008[update], it is being studied as a possible add-on treatment for atherosclerosis. This chemical's classification code is Treatment of atherosclerosis.

Physical properties of Darapladib: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 1035; (6)ACD/BCF (pH 7.4): 11713; (7)ACD/KOC (pH 5.5): 686; (8)ACD/KOC (pH 7.4): 7762; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 13; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 179.803 cm³; (13)Molar Volume: 529.593 cm³; (14)Surface Tension: 42.711 dyne/cm; (15)Density: 1.259 g/cm³; (16)Flash Point: 401.944 °C; (17)Enthalpy of Vaporization: 108.071 kJ/mol; (18)Boiling Point: 741.002 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)c2ccc(cc2)CN(C(=O)CN\4C(\SCc3ccc(F)cc3)=N/C(=O)/C5=C/4CCC5)CCN(CC)CC
(2)InChI: InChI=1/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
(3)InChIKey: WDPFJWLDPVQCAJ-UHFFFAOYAU