3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl propane-2-sulfonate
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V025-2830 |
| Compound Name: | 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C18 H29 N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6656 |
| logD: | 3.6656 |
| logSw: | -3.8184 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.082 |
| InChI Key: | ANCQJNZFMAERGZ-HNNXBMFYSA-N |