4-cyclohexyl-3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
4-cyclohexyl-3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-0118 |
| Compound Name: | 4-cyclohexyl-3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 478.44 |
| Molecular Formula: | C23 H25 Cl2 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1C1CCCCC1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9719 |
| logD: | 6.9719 |
| logSw: | -6.738 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.633 |
| InChI Key: | AOTGKKJGSTYMMZ-UHFFFAOYSA-N |