4-[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}butanamide
Chemical Structure Depiction of
4-[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}butanamide
4-[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}butanamide
Compound characteristics
| Compound ID: | F747-0513 |
| Compound Name: | 4-[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}butanamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccc(cc3)SC)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.9947 |
| logD: | 3.9947 |
| logSw: | -4.203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.584 |
| InChI Key: | ZDABECUYXBSTGF-UHFFFAOYSA-N |