2-{[7-(3-methoxyphenyl)-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-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[7-(3-methoxyphenyl)-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: | G802-0712 |
| Compound Name: | 2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C21 H16 F3 N5 O3 S |
| Smiles: | COc1cccc(c1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4305 |
| logD: | 2.4305 |
| logSw: | -3.1103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.698 |
| InChI Key: | BAIHAUSLXNPPIL-UHFFFAOYSA-N |