ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanoyl]piperidine-4-carboxylate
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G740-1171 |
| Compound Name: | ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C25 H31 N5 O4 |
| Smiles: | CCC(C(N1CCC(CC1)C(=O)OCC)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0601 |
| logD: | 3.0601 |
| logSw: | -3.0347 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.134 |
| InChI Key: | PLTFBGKJLOQJSP-FQEVSTJZSA-N |