2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]propanamide
Chemical Structure Depiction of
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]propanamide
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]propanamide
Compound characteristics
| Compound ID: | G598-0385 |
| Compound Name: | 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]propanamide |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C25 H30 N6 O2 S |
| Smiles: | CCCSCCCNC(C(C)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.759 |
| logD: | 3.759 |
| logSw: | -4.0294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.465 |
| InChI Key: | JWXKSDYMEYEEFY-IBGZPJMESA-N |