3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-4359 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C24 H22 F N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(cc3)F)n2c2ccc(cc2)OC)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.3789 |
| logD: | 6.3789 |
| logSw: | -5.6615 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | JTDHLZXYFIMBGS-UHFFFAOYSA-N |