2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-0601 |
| Compound Name: | 2-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C15 H24 N2 O4 S |
| Smiles: | CCNC(N(Cc1ccccc1OS(CC)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5622 |
| logD: | 2.5622 |
| logSw: | -2.8651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.429 |
| InChI Key: | QFOFKNRVKICACM-UHFFFAOYSA-N |