N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
Compound characteristics
| Compound ID: | G598-0289 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C27 H24 N6 O4 |
| Smiles: | CC(C(NCc1ccc2c(c1)OCO2)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.524 |
| logD: | 3.524 |
| logSw: | -3.8003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.467 |
| InChI Key: | OIPDNAGXYBFQRD-SFHVURJKSA-N |