4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-4957 |
| Compound Name: | 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(c2cc(cc(c2)OC)OC)n1C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4549 |
| logD: | 6.4549 |
| logSw: | -5.6285 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.633 |
| InChI Key: | LGQSSSDXRJRABZ-UHFFFAOYSA-N |