3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl propane-2-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V002-5823 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C17 H27 N O4 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2015 |
| logD: | 3.2015 |
| logSw: | -3.488 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.498 |
| InChI Key: | SSLWAUMDENAMPK-UHFFFAOYSA-N |