4-chloro-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-3681 |
| Compound Name: | 4-chloro-2-{[(2-methoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 440.94 |
| Molecular Formula: | C20 H25 Cl N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(C(C)C)C(Nc1ccccc1OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5144 |
| logD: | 4.5144 |
| logSw: | -4.608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.142 |
| InChI Key: | NBBTVZDHRYBVHX-UHFFFAOYSA-N |