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}acetamide
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}acetamide
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}acetamide
Compound characteristics
| Compound ID: | G598-0194 |
| 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}acetamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C26 H24 N6 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCc3ccc(cc3)SC)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1194 |
| logD: | 4.1194 |
| logSw: | -4.3114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.605 |
| InChI Key: | VXQUVVJSUOSNOM-UHFFFAOYSA-N |