N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0318 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C16 H18 N4 O4 |
| Smiles: | C1CCC2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0767 |
| logD: | 2.0767 |
| logSw: | -2.9971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.781 |
| InChI Key: | WAOZSURYNJCDOT-UHFFFAOYSA-N |