2-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}benzonitrile
2-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-0452 |
| Compound Name: | 2-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 517.51 |
| Molecular Formula: | C28 H22 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1Cc1cccc(c1)c1nc(c2cccc(c2)C(F)(F)F)on1)C(c1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7436 |
| logD: | 4.7433 |
| logSw: | -4.8173 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.889 |
| InChI Key: | YMJUAHZPUBLUNC-UHFFFAOYSA-N |