3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9718 |
| Compound Name: | 3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C20 H22 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CC2)C(c2ccccc2[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.66 |
| logD: | 3.66 |
| logSw: | -3.9531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.81 |
| InChI Key: | RCSLNZNMUJRYKT-UHFFFAOYSA-N |