4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl methanesulfonate
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V027-0005 |
| Compound Name: | 4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 399.87 |
| Molecular Formula: | C18 H19 Cl F N O4 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8475 |
| logD: | 3.8475 |
| logSw: | -4.3531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.429 |
| InChI Key: | UVHWHRDQGZNKTD-UHFFFAOYSA-N |