4-{[acetyl(butan-2-yl)amino]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[acetyl(butan-2-yl)amino]methyl}phenyl propane-2-sulfonate
4-{[acetyl(butan-2-yl)amino]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-5052 |
| Compound Name: | 4-{[acetyl(butan-2-yl)amino]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 327.44 |
| Molecular Formula: | C16 H25 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5894 |
| logD: | 2.5894 |
| logSw: | -2.8222 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.55 |
| InChI Key: | DRNZFHBBAUHFAS-ZDUSSCGKSA-N |