N-{3-[4-(4-fluorophenyl)piperazin-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-(4-fluorophenyl)piperazin-1-yl]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2314 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C31 H33 F N4 O2 |
| Smiles: | C(CNC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)CN1CCN(CC1)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8451 |
| logD: | 3.259 |
| logSw: | -3.9745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.444 |
| InChI Key: | XKEHWJACUGPVPT-UHFFFAOYSA-N |