3-(3-bromophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-bromophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(3-bromophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-4803 |
| Compound Name: | 3-(3-bromophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 521.31 |
| Molecular Formula: | C21 H12 Br F3 N4 O2 S |
| Smiles: | c1ccc(cc1)n1c(c2cccc(c2)[Br])nnc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.214 |
| logD: | 7.214 |
| logSw: | -6.6301 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.793 |
| InChI Key: | MNOXVDRGTYOIBX-UHFFFAOYSA-N |