3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-5124 |
| Compound Name: | 3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C16 H26 N2 O4 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7004 |
| logD: | 2.7004 |
| logSw: | -3.187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.266 |
| InChI Key: | JEKVMBWTIKIDQD-UHFFFAOYSA-N |