Cobicistat

The Cobicistat, with the CAS registry number 1004316-88-4, is also known as 2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-. This chemical's molecular formula is C₄₀H₅₃N₇O₅S₂ and molecular weight is 776.02. What's more, its systematic name is Thiazol-5-ylmethyl N-[1-benzyl-4-[[2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-4-morpholino-butanoyl]amino]-5-phenyl-pentyl]carbamate. This chemical is a licensed drug for use in the treatment of infection with the human immunodeficiency virus (HIV).

Physical properties of Cobicistat are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.60; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 18.59; (7)ACD/KOC (pH 5.5): 9.35; (8)ACD/KOC (pH 7.4): 250.46; (9)#H bond acceptors: 12; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 194.5 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 214.475 cm³; (15)Molar Volume: 631.558 cm³; (16)Polarizability: 85.024×10^-24cm³; (17)Surface Tension: 55.238 dyne/cm; (18)Density: 1.229 g/cm³; (19)Flash Point: 543.174 °C; (20)Enthalpy of Vaporization: 142.166 kJ/mol; (21)Boiling Point: 974.526 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1nc(cs1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5
(2)Std. InChI: InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
(3)Std. InChIKey: ZCIGNRJZKPOIKD-CQXVEOKZSA-N