4-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-8198 |
| Compound Name: | 4-{[N-(butan-2-yl)-2,2-dimethylpropanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 355.5 |
| Molecular Formula: | C18 H29 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5404 |
| logD: | 3.5404 |
| logSw: | -3.5892 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.158 |
| InChI Key: | LBYZLNFQLFQNOB-AWEZNQCLSA-N |