4-{[acetyl(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[acetyl(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[acetyl(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7189 |
| Compound Name: | 4-{[acetyl(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7744 |
| logD: | 2.7743 |
| logSw: | -3.3521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.212 |
| InChI Key: | JFCMYUBMBDZJPV-UHFFFAOYSA-N |