5-[1-(azepan-1-yl)-1-oxopropan-2-yl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
5-[1-(azepan-1-yl)-1-oxopropan-2-yl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
5-[1-(azepan-1-yl)-1-oxopropan-2-yl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | G598-0219 |
| Compound Name: | 5-[1-(azepan-1-yl)-1-oxopropan-2-yl]-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | CC(C(N1CCCCCC1)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9666 |
| logD: | 3.9666 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.918 |
| InChI Key: | LGCLJOYSKAORMN-IBGZPJMESA-N |