N-(4-chloro-2-fluorophenyl)-3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzamide
N-(4-chloro-2-fluorophenyl)-3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzamide
Compound characteristics
| Compound ID: | K781-3206 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzamide |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C23 H19 Cl F N3 O4 S |
| Smiles: | C(CNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7161 |
| logD: | 3.7711 |
| logSw: | -5.0507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.754 |
| InChI Key: | DVHQRBBXMZFMHU-UHFFFAOYSA-N |