3-[({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
3-[({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
3-[({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8016-3117 |
| Compound Name: | 3-[({5-[2-(2-hydroxyphenyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCc1cccc(C#N)c1)c1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.5157 |
| logD: | 4.5151 |
| logSw: | -4.0224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.293 |
| InChI Key: | BXWAOVCBBPOSTP-UHFFFAOYSA-N |