2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0626 |
| Compound Name: | 2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCC(C(N1CCN(CC1)C(c1ccco1)=O)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.285 |
| logD: | 3.285 |
| logSw: | -3.3903 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.459 |
| InChI Key: | XIPYYEMIFHYEMP-KRWDZBQOSA-N |