2,3-diethoxy-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
2,3-diethoxy-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-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: | C289-0201 |
| Compound Name: | 2,3-diethoxy-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: | 600.73 |
| Molecular Formula: | C35 H41 F N4 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCCCN4CCN(CC4)c4ccc(cc4)F)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2863 |
| logD: | 2.7002 |
| logSw: | -3.5956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.864 |
| InChI Key: | HZCSRCVVKNMIKL-UHFFFAOYSA-N |