N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Compound characteristics
| Compound ID: | F747-0427 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide |
| Molecular Weight: | 510.55 |
| Molecular Formula: | C28 H26 N6 O4 |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.1885 |
| logD: | 3.1885 |
| logSw: | -3.3194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.699 |
| InChI Key: | FKOIILNOLBSFLI-UHFFFAOYSA-N |