5-(2-nitrophenyl)-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazole
Chemical Structure Depiction of
5-(2-nitrophenyl)-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazole
5-(2-nitrophenyl)-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4087 |
| Compound Name: | 5-(2-nitrophenyl)-3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazole |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C15 H8 F3 N5 O4 S |
| Smiles: | c1ccc(c(c1)c1nc(n[nH]1)Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8048 |
| logD: | 3.3667 |
| logSw: | -5.0255 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.635 |
| InChI Key: | WQBPPKMCNIYSIG-UHFFFAOYSA-N |