2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V031-3436 |
| Compound Name: | 2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 429.42 |
| Molecular Formula: | C21 H14 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5851 |
| logD: | 4.585 |
| logSw: | -4.5551 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.538 |
| InChI Key: | WRDQVLALXFJICJ-UHFFFAOYSA-N |