2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V010-9791 |
| Compound Name: | 2-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C22 H15 F N4 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1C#N)Sc1nnc(c2ccc(cc2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0996 |
| logD: | 5.0996 |
| logSw: | -5.3259 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | JEQMEBWQFYAPPP-UHFFFAOYSA-N |