N-[3-(4-benzylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2315 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C32 H36 N4 O2 |
| Smiles: | C(CNC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3755 |
| logD: | 2.5559 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.724 |
| InChI Key: | DXDHNKWCHYYXIE-UHFFFAOYSA-N |