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]acetamide
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]acetamide
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]acetamide
Compound characteristics
| Compound ID: | G598-0081 |
| 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]acetamide |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C26 H22 N6 O4 |
| Smiles: | CC1c2c(C(N(CC(NCc3ccc4c(c3)OCO4)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.3132 |
| logD: | 3.3132 |
| logSw: | -3.6151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.721 |
| InChI Key: | RRJPSJQEUMQSSV-UHFFFAOYSA-N |