4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3205 |
| Compound Name: | 4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 469.48 |
| Molecular Formula: | C21 H22 F3 N3 O4 S |
| Smiles: | CC(C)CCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7028 |
| logD: | 4.7016 |
| logSw: | -4.44 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.025 |
| InChI Key: | HKIXRHDQQBALFT-UHFFFAOYSA-N |