13-(4-benzylpiperidine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(4-benzylpiperidine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(4-benzylpiperidine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
Compound ID: | C289-0053 |
Compound Name: | 13-(4-benzylpiperidine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
Molecular Weight: | 538.69 |
Molecular Formula: | C34 H38 N2 O4 |
Smiles: | CCOc1cc2CCN3C(C(C(N4CCC(CC4)Cc4ccccc4)=O)c4ccccc4C3=O)c2cc1OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.8274 |
logD: | 4.8274 |
logSw: | -4.6696 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.743 |
InChI Key: | VSXFSTRRGQSKDA-UHFFFAOYSA-N |