2-({[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5429 |
| Compound Name: | 2-({[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 471.79 |
| Molecular Formula: | C22 H13 Cl3 N4 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1C#N)Sc1nnc(c2ccccc2[Cl])n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7319 |
| logD: | 6.7319 |
| logSw: | -6.9094 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | GGCRJPUCYKTGPS-UHFFFAOYSA-N |