4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3142 |
| Compound Name: | 4-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 537.94 |
| Molecular Formula: | C24 H19 Cl F3 N3 O4 S |
| Smiles: | C(CNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2046 |
| logD: | 5.2034 |
| logSw: | -5.689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.754 |
| InChI Key: | HZACDBAWTWYNOF-UHFFFAOYSA-N |