1-phenyl-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-phenyl-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1530 |
| Compound Name: | 1-phenyl-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H15 F3 N4 O S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.155 |
| logD: | 4.1508 |
| logSw: | -4.2749 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.477 |
| InChI Key: | KECIRKQYSXVOBI-UHFFFAOYSA-N |