2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3459 |
| Compound Name: | 2-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C20 H22 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccccc1CN(CC1CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.94 |
| logD: | 3.94 |
| logSw: | -4.2965 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.896 |
| InChI Key: | WVUYRFIHBKANRU-UHFFFAOYSA-N |