2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-9924 |
| Compound Name: | 2-{[2-chloro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 409.93 |
| Molecular Formula: | C20 H24 Cl N O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(C(C)C)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3919 |
| logD: | 4.3919 |
| logSw: | -4.5384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.313 |
| InChI Key: | MJSXEPZEUBCQFV-UHFFFAOYSA-N |