3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9882 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 444.36 |
| Molecular Formula: | C22 H16 Cl2 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2F)nnc1SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9021 |
| logD: | 6.9021 |
| logSw: | -6.715 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | KTMNRUUZDVJAKZ-UHFFFAOYSA-N |