2-{1-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
Compound ID: | E019-0315 |
Compound Name: | 2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-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: | CC(C(N1CCN(CC1)c1cccc(C)c1C)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2008 |
logD: | 5.2007 |
logSw: | -5.3803 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.799 |
InChI Key: | OABLSLQKZGQLTJ-IBGZPJMESA-N |