N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C265-0444 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 572.68 |
| Molecular Formula: | C33 H37 F N4 O4 |
| Smiles: | COc1cc2CCN3C(C(C(NCCCN4CCN(CC4)c4ccccc4F)=O)c4ccccc4C3=O)c2cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0229 |
| logD: | 2.6917 |
| logSw: | -3.6327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.404 |
| InChI Key: | TUBBHIAPISTQMP-UHFFFAOYSA-N |