4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-2888 |
| Compound Name: | 4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 362.87 |
| Molecular Formula: | C15 H23 Cl N2 O4 S |
| Smiles: | CCNC(N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1268 |
| logD: | 3.1268 |
| logSw: | -3.6181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.429 |
| InChI Key: | DAMRPTPLQALLSD-UHFFFAOYSA-N |