2-[1-(4-benzylpiperidin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-[1-(4-benzylpiperidin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-[1-(4-benzylpiperidin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0618 |
| Compound Name: | 2-[1-(4-benzylpiperidin-1-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CCC(C(N1CCC(CC1)Cc1ccccc1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0476 |
| logD: | 6.0476 |
| logSw: | -5.8046 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.153 |
| InChI Key: | NJIIRSWMERYANJ-QFIPXVFZSA-N |