2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5741 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9857 |
| logD: | 3.9856 |
| logSw: | -4.0415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.159 |
| InChI Key: | NPYYLPHLVKYQIX-KRWDZBQOSA-N |