ethyl 4-[3-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamido]benzoate
ethyl 4-[3-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | E854-2453 |
| Compound Name: | ethyl 4-[3-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamido]benzoate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCN1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4594 |
| logD: | 3.4592 |
| logSw: | -3.7002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.224 |
| InChI Key: | HNBPAOYBFKHQKC-UHFFFAOYSA-N |