2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]acetamide
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | G598-0646 |
| Compound Name: | 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C24 H27 Cl N6 O2 S |
| Smiles: | CCCSCCCNC(CN1C(c2c(C(C)=N1)nn(c1ccc(cc1)[Cl])c2n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8657 |
| logD: | 3.8657 |
| logSw: | -4.7175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.718 |
| InChI Key: | CGGPJKHKCPTABE-UHFFFAOYSA-N |