2,3-diethoxy-N-[3-(4-methylpiperidin-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-methylpiperidin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
Compound ID: | C289-0110 |
Compound Name: | 2,3-diethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
Molecular Weight: | 519.69 |
Molecular Formula: | C31 H41 N3 O4 |
Smiles: | CCOc1cc2CCN3C(C(C(NCCCN4CCC(C)CC4)=O)c4ccccc4C3=O)c2cc1OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.9027 |
logD: | 0.3845 |
logSw: | -3.4486 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.604 |
InChI Key: | ZKPVZVAJXZRSBR-UHFFFAOYSA-N |