3-(3,4-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-5625 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C23 H20 F N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.642 |
| logD: | 4.642 |
| logSw: | -4.551 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.973 |
| InChI Key: | XGAWGZUFGZIIET-UHFFFAOYSA-N |