N-(3,4-dimethoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(3,4-dimethoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2132 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CCc1ccccc1SC1C2=NN(CC(Nc3ccc(c(c3)OC)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9565 |
| logD: | 2.9564 |
| logSw: | -3.2792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.847 |
| InChI Key: | KYOHMTKCGKCBOT-UHFFFAOYSA-N |