4-{[3,4-dichloro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[3,4-dichloro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
4-{[3,4-dichloro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V014-1222 |
| Compound Name: | 4-{[3,4-dichloro-N-(propan-2-yl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 430.35 |
| Molecular Formula: | C19 H21 Cl2 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C(C)C)C(c2ccc(c(c2)[Cl])[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4267 |
| logD: | 4.4267 |
| logSw: | -4.5467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.302 |
| InChI Key: | HYJCLLAZWBJVNC-UHFFFAOYSA-N |