3-nitro-4-({2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
3-nitro-4-({2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]benzamide
3-nitro-4-({2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3202 |
| Compound Name: | 3-nitro-4-({2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 439.41 |
| Molecular Formula: | C19 H16 F3 N3 O4 S |
| Smiles: | C=CCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5697 |
| logD: | 3.5685 |
| logSw: | -4.0683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.025 |
| InChI Key: | BFTWJYFMOMRMEY-UHFFFAOYSA-N |