4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V002-5523 |
| Compound Name: | 4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 413.89 |
| Molecular Formula: | C19 H21 Cl F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(C(C)C)C(c1ccccc1F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2112 |
| logD: | 4.2112 |
| logSw: | -4.5602 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.389 |
| InChI Key: | PHMDDNSZHROASO-UHFFFAOYSA-N |