4-({3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzonitrile
Chemical Structure Depiction of
4-({3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzonitrile
4-({3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzonitrile
Compound characteristics
| Compound ID: | Y502-5619 |
| Compound Name: | 4-({3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenyl}methoxy)benzonitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | C(Cn1c(c2cccc(COc3ccc(C#N)cc3)c2)nnc1S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8031 |
| logD: | 4.4587 |
| logSw: | -5.0167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.977 |
| InChI Key: | YHVYZCCZAVZTIW-UHFFFAOYSA-N |