4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-1148 |
| Compound Name: | 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2C2CCCCC2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.6327 |
| logD: | 6.6326 |
| logSw: | -5.5992 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.633 |
| InChI Key: | RCUBBMVCDIBPBX-UHFFFAOYSA-N |