2,3-diethoxy-8-oxo-N-[3-(pyrrolidin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
2,3-diethoxy-8-oxo-N-[3-(pyrrolidin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-8-oxo-N-[3-(pyrrolidin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0118 |
| Compound Name: | 2,3-diethoxy-8-oxo-N-[3-(pyrrolidin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C29 H37 N3 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCCCN4CCCC4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1478 |
| logD: | -0.9427 |
| logSw: | -2.9583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | LLDZXWVRJIELMX-UHFFFAOYSA-N |