4-methyl-2-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
4-methyl-2-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}[1]benzothieno[2,3-d]pyridazin-1(2H)-one
4-methyl-2-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0608 |
| Compound Name: | 4-methyl-2-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CCC(C(N1CCN(C(C)C1)c1cccc(C)c1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5725 |
| logD: | 5.5722 |
| logSw: | -5.6788 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.903 |
| InChI Key: | KOMKFYIRKCEADN-UHFFFAOYSA-N |