3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(4-methylphenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-7133 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyclohexyl-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.97 |
| Molecular Formula: | C22 H24 Cl N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C2CCCCC2)nnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3421 |
| logD: | 6.3421 |
| logSw: | -6.3586 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9046 |
| InChI Key: | JEYJCYQPZRPYNG-UHFFFAOYSA-N |