4-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}phenyl propane-2-sulfonate
4-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-5071 |
| Compound Name: | 4-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 383.55 |
| Molecular Formula: | C20 H33 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4774 |
| logD: | 4.4774 |
| logSw: | -4.2429 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.555 |
| InChI Key: | OYXSDZXNLUYIGF-INIZCTEOSA-N |