541503-81-5
Product Name:
Vicriviroc Malate
Formula:
C32H44F3N5O7
Synonyms:
(4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone malate, SCH-D, Vicriviroc, SCH-417690;Vicriviroc Malate - CAS 541503-81-5 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 667.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 667.31928325 g/mol |
| Monoisotopic Mass | 667.31928325 g/mol |
| Topological Polar Surface Area | 157 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 902 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(4,6-Dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone;2-hydroxybutanedioic acid is a member of (trifluoromethyl)benzenes.