N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-bis(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-bis(trifluoromethyl)benzamide
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-bis(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V015-1585 |
| Compound Name: | N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-bis(trifluoromethyl)benzamide |
| Molecular Weight: | 689.61 |
| Molecular Formula: | C32 H22 F7 N5 O3 S |
| Salt: | not_available |
| Smiles: | C(C(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)F)NC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4279 |
| logD: | 7.4271 |
| logSw: | -6.1457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.138 |
| InChI Key: | UVEZIODICLDLQU-MHZLTWQESA-N |