3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9176 |
| Compound Name: | 3-(4-nitrophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 456.44 |
| Molecular Formula: | C22 H15 F3 N4 O2 S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9505 |
| logD: | 5.9505 |
| logSw: | -6.4223 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.094 |
| InChI Key: | YGYKOUOUKKWYSJ-UHFFFAOYSA-N |