2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G802-1129 |
| Compound Name: | 2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8834 |
| logD: | 1.8834 |
| logSw: | -2.5261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.841 |
| InChI Key: | TXNIVSNDNQPNNC-UHFFFAOYSA-N |