N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0104 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | C1CCC2=CC(N(CC(NCc3ccc4c(c3)OCO4)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1185 |
| logD: | 2.1185 |
| logSw: | -2.9406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.151 |
| InChI Key: | GINYFAZEONQMRI-UHFFFAOYSA-N |