ethyl 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoate
Chemical Structure Depiction of
ethyl 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoate
ethyl 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoate
Compound characteristics
| Compound ID: | C799-0842 |
| Compound Name: | ethyl 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoate |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CCOC(CCCN1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.075 |
| logD: | 3.075 |
| logSw: | -3.1156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.543 |
| InChI Key: | XWBJYRUVFJGNBS-UHFFFAOYSA-N |