4-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-1213 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C22 H15 Cl N4 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8766 |
| logD: | 4.8766 |
| logSw: | -5.1579 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | ZBTBMHRHGHXBSV-UHFFFAOYSA-N |