2,3-diethoxy-N-[3-(4-ethylpiperazin-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-ethylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
Compound ID: | C289-0115 |
Compound Name: | 2,3-diethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
Molecular Weight: | 534.7 |
Molecular Formula: | C31 H42 N4 O4 |
Smiles: | CCN1CCN(CCCNC(C2C3c4cc(c(cc4CCN3C(c3ccccc23)=O)OCC)OCC)=O)CC1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.6632 |
logD: | 0.715 |
logSw: | -2.5664 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.141 |
InChI Key: | SPXLOTSDYPBALC-UHFFFAOYSA-N |