2-{1-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0605 |
| Compound Name: | 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C26 H27 Cl N4 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9947 |
| logD: | 5.9947 |
| logSw: | -6.1434 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.384 |
| InChI Key: | LYPHLCHKFOHNDD-FQEVSTJZSA-N |