2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | M460-1473 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | C1CCCN(CC1)C1C2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1228 |
| logD: | 1.1228 |
| logSw: | -2.1748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.363 |
| InChI Key: | BXDBQRVDALTEKJ-UHFFFAOYSA-N |