2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}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-{[4-(methylsulfanyl)phenyl]methyl}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-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | G598-0382 |
| 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-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 498.61 |
| Molecular Formula: | C27 H26 N6 O2 S |
| Smiles: | CC(C(NCc1ccc(cc1)SC)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3302 |
| logD: | 4.3302 |
| logSw: | -4.3583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.352 |
| InChI Key: | DDDNEGDTRZEBGH-IBGZPJMESA-N |