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 |