2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Chemical Structure Depiction of
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | E854-1692 |
| Compound Name: | 2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | CCC(C(NCc1ccc(cc1)SC)=O)N1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1294 |
| logD: | 4.1294 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.145 |
| InChI Key: | QGJSMYADKHVEOW-NRFANRHFSA-N |