ethyl 1-{4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]butanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]butanoyl}piperidine-4-carboxylate
ethyl 1-{4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]butanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E854-6551 |
| Compound Name: | ethyl 1-{4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]butanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C26 H33 N5 O4 |
| Smiles: | CCOC(C1CCN(CC1)C(CCCN1C(c2c(C(C)=N1)c(C)n(c1ccc(C)cc1)n2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4804 |
| logD: | 2.4801 |
| logSw: | -2.3884 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.467 |
| InChI Key: | GJAQKJLLAVVZDN-UHFFFAOYSA-N |