4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3937 |
| Compound Name: | 4-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4755 |
| logD: | 4.4754 |
| logSw: | -4.5245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.473 |
| InChI Key: | KBBWYBQYSDENFK-UHFFFAOYSA-N |