3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V030-7555 |
| Compound Name: | 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 460.81 |
| Molecular Formula: | C22 H16 Cl3 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccccc3[Cl])n2c2ccc(c(c2)[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0753 |
| logD: | 7.0753 |
| logSw: | -6.7503 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | LPRNXDJPHQPCGA-UHFFFAOYSA-N |