N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0582 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C16 H18 N4 O4 |
| Smiles: | C1CCN2C(C1)=NN(CC(NCc1ccc3c(c1)OCO3)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.2386 |
| logD: | 1.2386 |
| logSw: | -2.2002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.772 |
| InChI Key: | ALVKLPJWJRGWOH-UHFFFAOYSA-N |