2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]acetamide
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G802-0655 |
| Compound Name: | 2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5472 |
| logD: | 2.5472 |
| logSw: | -2.7774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.717 |
| InChI Key: | XWPRVINFRPPYBA-UHFFFAOYSA-N |