3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-4081 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 452.83 |
| Molecular Formula: | C21 H20 Cl3 N3 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.227 |
| logD: | 7.227 |
| logSw: | -7.0822 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9046 |
| InChI Key: | WTXWFLJXMQDRLU-UHFFFAOYSA-N |