1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E859-0199 |
| Compound Name: | 1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C27 H30 N6 O S |
| Smiles: | Cc1c2c(c(nn1)N1CCC(CC1)C(NCc1ccc(cc1)SC)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.8878 |
| logD: | 3.8757 |
| logSw: | -4.0768 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.684 |
| InChI Key: | YUJUSBMHULIBLD-UHFFFAOYSA-N |