N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0750 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C21 H17 N5 O5 S |
| Smiles: | COc1cccc(c1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.748 |
| logD: | 1.748 |
| logSw: | -2.6092 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.511 |
| InChI Key: | AHQTWTAAVAAVEU-UHFFFAOYSA-N |