N-[2-(3,4-diethoxyphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0158 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C30 H32 N2 O4 |
| Smiles: | CCOc1ccc(CCNC(C2C3c4ccccc4CCN3C(c3ccccc23)=O)=O)cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7103 |
| logD: | 3.7103 |
| logSw: | -3.847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.621 |
| InChI Key: | XLXQHMXBDMUAFK-UHFFFAOYSA-N |