3-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
3-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
3-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V007-7529 |
| Compound Name: | 3-[({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(c1cccc(C#N)c1)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7395 |
| logD: | 4.7394 |
| logSw: | -4.8546 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.347 |
| InChI Key: | GXSPKVCZCOWHQU-UHFFFAOYSA-N |