2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1527 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C19 H18 F N3 O3 S |
| Smiles: | Cn1c(c2ccc(c(c2)OC)OC)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9936 |
| logD: | 2.9936 |
| logSw: | -3.3387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.558 |
| InChI Key: | XHQYKMJKORDQIW-UHFFFAOYSA-N |