2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-1746 |
| Compound Name: | 2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccccc1CN(C1CC1)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9175 |
| logD: | 2.9175 |
| logSw: | -3.5055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.338 |
| InChI Key: | BTHUIPDWRKXBEN-UHFFFAOYSA-N |