N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-10,11-dimethoxy-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}-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2389 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-10,11-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: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(NCCCN1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5852 |
| logD: | 2.9991 |
| logSw: | -3.7105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.705 |
| InChI Key: | IOYRLJFIRXMMLC-UHFFFAOYSA-N |