2-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0615 |
| Compound Name: | 2-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)Cc1ccccc1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3931 |
| logD: | 4.3687 |
| logSw: | -4.2801 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.965 |
| InChI Key: | XPTOVLWZVFCPKW-NRFANRHFSA-N |