4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V012-0103 |
| Compound Name: | 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(c(c3)OC)OC)n2C2CCCCC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.456 |
| logD: | 5.456 |
| logSw: | -5.3886 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.806 |
| InChI Key: | WGESOISSFAIATM-UHFFFAOYSA-N |