3-cyclohexyl-4-(3,4-dichlorophenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-4-(3,4-dichlorophenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-cyclohexyl-4-(3,4-dichlorophenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-7604 |
| Compound Name: | 3-cyclohexyl-4-(3,4-dichlorophenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 446.44 |
| Molecular Formula: | C23 H25 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(C3CCCCC3)n2c2ccc(c(c2)[Cl])[Cl])cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.8877 |
| logD: | 7.8877 |
| logSw: | -6.7483 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9046 |
| InChI Key: | ICAGOKZWOUIVKC-UHFFFAOYSA-N |