2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V002-8234 |
| Compound Name: | 2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C14 H22 N2 O4 S |
| Smiles: | CCNC(N(Cc1ccccc1OS(C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1984 |
| logD: | 2.1984 |
| logSw: | -2.6412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.469 |
| InChI Key: | QXWBGSHJZYKMKL-UHFFFAOYSA-N |