4-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
4-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V004-3405 |
| Compound Name: | 4-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C21 H13 F3 N4 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5419 |
| logD: | 4.5418 |
| logSw: | -4.5439 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.347 |
| InChI Key: | TUMBRIXGVNKHJC-UHFFFAOYSA-N |