N-(2H-1,3-benzodioxol-5-yl)-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)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0139 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C18 H19 N3 O4 |
| Smiles: | C1CCC2=CC(N(CC(Nc3ccc4c(c3)OCO4)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4607 |
| logD: | 2.4607 |
| logSw: | -3.0151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.829 |
| InChI Key: | XZFSXNVEGTZMGG-UHFFFAOYSA-N |