4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3199 |
| Compound Name: | 4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 455.45 |
| Molecular Formula: | C20 H20 F3 N3 O4 S |
| Smiles: | CCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4889 |
| logD: | 4.4876 |
| logSw: | -4.4014 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.025 |
| InChI Key: | BFBPZXOKZYFPDO-UHFFFAOYSA-N |