2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0338 |
| Compound Name: | 2-(1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | CC(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6295 |
| logD: | 3.3531 |
| logSw: | -4.1523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.496 |
| InChI Key: | OACUMEYFAOMBCN-KRWDZBQOSA-N |