N-(3,4-dimethoxyphenyl)-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0291 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | COc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2531 |
| logD: | 1.2531 |
| logSw: | -2.4304 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.656 |
| InChI Key: | IRLQLQMGFNSKMP-UHFFFAOYSA-N |