CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 0.1 mg/mL |
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COMPUTED DESCRIPTORS
Molecular Weight | 776.0 g/mol |
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XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 20 |
Exact Mass | 775.35496016 g/mol |
Monoisotopic Mass | 775.35496016 g/mol |
Topological Polar Surface Area | 195 Ų |
Heavy Atom Count | 54 |
Formal Charge | 0 |
Complexity | 1120 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cobicistat is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications.. It has a role as a P450 inhibitor. It is a member of 1,3-thiazoles, a member of morpholines, a member of ureas, a carbamate ester and a monocarboxylic acid amide.