methyl {1-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]piperidin-4-yl}acetate
Chemical Structure Depiction of
methyl {1-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]piperidin-4-yl}acetate
methyl {1-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]piperidin-4-yl}acetate
Compound characteristics
| Compound ID: | J102-0232 |
| Compound Name: | methyl {1-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]piperidin-4-yl}acetate |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C19 H27 N3 O4 |
| Smiles: | COC(CC1CCN(CC1)C(CN1C(C=C2CCCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4807 |
| logD: | 1.4807 |
| logSw: | -1.6491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.535 |
| InChI Key: | ZBDRGNCSIDCYDB-UHFFFAOYSA-N |