4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-7602 |
| Compound Name: | 4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C25 H34 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5696 |
| logD: | 4.5695 |
| logSw: | -4.2754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.217 |
| InChI Key: | XTCDCNUWPMHRMR-UHFFFAOYSA-N |