3-({[5-cyclohexyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-cyclohexyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-cyclohexyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V004-8931 |
| Compound Name: | 3-({[5-cyclohexyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C23 H24 N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(C2CCCCC2)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5351 |
| logD: | 5.535 |
| logSw: | -5.5316 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.66 |
| InChI Key: | XIQPJQPHWRIUJH-UHFFFAOYSA-N |