3-(3-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(3-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-3675 |
| Compound Name: | 3-(3-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H15 F N4 O2 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nnc(c2cccc(c2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2512 |
| logD: | 5.2512 |
| logSw: | -5.6283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.094 |
| InChI Key: | WSYLDKGMLDVWMJ-UHFFFAOYSA-N |