benzyl (3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetate
Chemical Structure Depiction of
benzyl (3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetate
benzyl (3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetate
Compound characteristics
| Compound ID: | J102-0406 |
| Compound Name: | benzyl (3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetate |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C18 H20 N2 O3 |
| Smiles: | C1CCC2=CC(N(CC(=O)OCc3ccccc3)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9002 |
| logD: | 2.9002 |
| logSw: | -3.1889 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.098 |
| InChI Key: | NFBUWJAJJNXLNA-UHFFFAOYSA-N |