13-[2-(4-methylpiperazin-1-yl)benzoyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-[2-(4-methylpiperazin-1-yl)benzoyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-[2-(4-methylpiperazin-1-yl)benzoyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C066-2442 |
| Compound Name: | 13-[2-(4-methylpiperazin-1-yl)benzoyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C29 H29 N3 O2 |
| Smiles: | CN1CCN(CC1)c1ccccc1C(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2 |
| logD: | 3.5132 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.041 |
| InChI Key: | WMFPPLDCUNDZDZ-UHFFFAOYSA-N |