3-cyclohexyl-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-cyclohexyl-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-8713 |
| Compound Name: | 3-cyclohexyl-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 418.39 |
| Molecular Formula: | C21 H21 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7971 |
| logD: | 6.7971 |
| logSw: | -6.7849 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9046 |
| InChI Key: | RVGOSXIDLJUHTA-UHFFFAOYSA-N |