4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Chemical Structure Depiction of
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | E854-6587 |
| Compound Name: | 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(NCc3ccc(cc3)SC)=O)N=1)=O)nn(c1ccc(C)cc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.5817 |
| logD: | 3.5814 |
| logSw: | -4.0048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.792 |
| InChI Key: | DQTVTBLHBMHOFJ-UHFFFAOYSA-N |