2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G802-0620 |
| Compound Name: | 2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C22 H18 F3 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3991 |
| logD: | 3.3991 |
| logSw: | -3.8942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.154 |
| InChI Key: | WLAZZDQWTFNKDV-UHFFFAOYSA-N |