2-({[5-cyclohexyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-cyclohexyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-cyclohexyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-6954 |
| Compound Name: | 2-({[5-cyclohexyl-4-(3-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: | Cc1cccc(c1)n1c(C2CCCCC2)nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.8717 |
| logD: | 5.8717 |
| logSw: | -5.7057 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.961 |
| InChI Key: | BDLACQVUPLYBMI-UHFFFAOYSA-N |