2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0606 |
| Compound Name: | 2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxobutan-2-yl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | CCC(C(N1CCc2ccccc2C1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9581 |
| logD: | 4.9581 |
| logSw: | -4.8327 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.086 |
| InChI Key: | VHNQFDSZFJSPPJ-IBGZPJMESA-N |