AC1MHXLW
(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid
Also Known As: WR 226253|C16H17Cl2F3N2O.CH4O3S.1/2H2O|4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate|C16-H17-Cl2-F3-N2-O.C-H4-O3-S.1/2H2-O|(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; methanesulfonic acid|Methanesulfonic acid--(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl][(2S)-piperidin-2-yl]methanol (1/1)
| Molecular Formula | C17H19Cl2F3N2O4S |
|---|---|
| Molecular Weight | 474.03946 g/mol |
| LogP | 4.2399 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.03946 |
| Monoisotopic Mass | 474.03946 |
| Heavy Atoms | 29 |
| Complexity | 972.78235 |
Chemical Identifiers
| CAS Number | 76487-48-4 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CCN[C@@H](C1)[C@H](C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C(F)(F)F)O |
Product Overview
AC1MHXLW (CAS 76487-48-4), with molecular formula C17H19Cl2F3N2O4S and molecular weight 474.03946 g/mol. IUPAC: (S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid.
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