2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M451-0137 |
| Compound Name: | 2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | Cc1ccc(cc1)SC1C2=NN(CC(Nc3cc(c(c(c3)OC)OC)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5892 |
| logD: | 2.5891 |
| logSw: | -3.0925 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.564 |
| InChI Key: | YIXGAPOTBAGBRJ-UHFFFAOYSA-N |