4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-8318 |
| Compound Name: | 4-chloro-2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 348.85 |
| Molecular Formula: | C14 H21 Cl N2 O4 S |
| Smiles: | CCNC(N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7631 |
| logD: | 2.7631 |
| logSw: | -3.5616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.469 |
| InChI Key: | BGXQVHPFNUIVQT-UHFFFAOYSA-N |