{2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V025-9315 |
| Compound Name: | {2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(c1ccccc1CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1475 |
| logD: | 5.1475 |
| logSw: | -5.3166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.305 |
| InChI Key: | PFDFBSAMSPSELG-UHFFFAOYSA-N |