4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V025-5870 |
| Compound Name: | 4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C21 H26 Cl N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3997 |
| logD: | 4.3997 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.482 |
| InChI Key: | NNVAUKAJUUQUKT-UHFFFAOYSA-N |