4-({[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V004-7147 |
| Compound Name: | 4-({[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C22 H20 Cl2 N4 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2867 |
| logD: | 6.2867 |
| logSw: | -6.7034 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.961 |
| InChI Key: | MRUKUEJMPMLAHN-UHFFFAOYSA-N |