4-chloro-2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9409 |
| Compound Name: | 4-chloro-2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 444.38 |
| Molecular Formula: | C20 H23 Cl2 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC(C)C)C(c1ccccc1[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8194 |
| logD: | 4.8194 |
| logSw: | -4.8462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.645 |
| InChI Key: | OWRDWKAMLOHBEA-UHFFFAOYSA-N |