1-(3-methoxyphenyl)-2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3-methoxyphenyl)-2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3-methoxyphenyl)-2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V005-9470 |
| Compound Name: | 1-(3-methoxyphenyl)-2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 470.47 |
| Molecular Formula: | C23 H17 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CSc1nnc(c2ccncc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7888 |
| logD: | 4.7888 |
| logSw: | -4.5993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.931 |
| InChI Key: | YAFLJXYDOPLECE-UHFFFAOYSA-N |