4-methyl-3-{[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-{[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
4-methyl-3-{[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-0249 |
| Compound Name: | 4-methyl-3-{[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 380.35 |
| Molecular Formula: | C16 H11 F3 N4 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1Sc1ccc(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4652 |
| logD: | 4.4652 |
| logSw: | -4.5104 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.432 |
| InChI Key: | NFXCSNZGUWSLTN-UHFFFAOYSA-N |