4-chloro-2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V003-3191 |
| Compound Name: | 4-chloro-2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 442.36 |
| Molecular Formula: | C20 H21 Cl2 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC1CC1)C(c1ccccc1[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5047 |
| logD: | 4.5047 |
| logSw: | -4.6338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.896 |
| InChI Key: | NRWRIFUTPQRPBR-UHFFFAOYSA-N |