2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
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}acetamide
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | E854-0296 |
| 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}acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCc3ccc(cc3)SC)=O)N=1)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.1615 |
| logD: | 3.1615 |
| logSw: | -3.3121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.814 |
| InChI Key: | TYRYMBXTIATGKF-UHFFFAOYSA-N |