2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
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}propanamide
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | E854-1422 |
| 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}propanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CC(C(NCc1ccc(cc1)SC)=O)N1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3722 |
| logD: | 3.3722 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.56 |
| InChI Key: | ZKOKODCTDDNPCI-KRWDZBQOSA-N |