2-({[5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V012-7071 |
| Compound Name: | 2-({[5-cyclohexyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(C2CCCCC2)nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.3864 |
| logD: | 5.3864 |
| logSw: | -5.3818 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.505 |
| InChI Key: | BIWOLZJZSQKPIB-UHFFFAOYSA-N |