ethyl 3-{[1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carbonyl]amino}benzoate
ethyl 3-{[1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E859-1766 |
| Compound Name: | ethyl 3-{[1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCCN(C1)c1c2c(c(C)nn1)c(C)n(c1ccccc1)n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1067 |
| logD: | 4.0881 |
| logSw: | -4.3502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.049 |
| InChI Key: | BNPZSWUVIWXMLJ-NRFANRHFSA-N |