N-(2H-1,3-benzodioxol-5-yl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-0373 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8726 |
| logD: | 2.8726 |
| logSw: | -3.1586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.702 |
| InChI Key: | WBEZQPOGJNOZSG-UHFFFAOYSA-N |