3-nitro-N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide
Chemical Structure Depiction of
3-nitro-N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide
3-nitro-N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide
Compound characteristics
| Compound ID: | Y502-1352 |
| Compound Name: | 3-nitro-N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide |
| Molecular Weight: | 391.31 |
| Molecular Formula: | C17 H12 F3 N5 O3 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)n1cnc(NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4059 |
| logD: | 2.6658 |
| logSw: | -3.786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.933 |
| InChI Key: | ULKGOIKQPHIEEF-UHFFFAOYSA-N |