2,3-diethoxy-N-{3-[ethyl(phenyl)amino]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-[ethyl(phenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-N-{3-[ethyl(phenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0119 |
| Compound Name: | 2,3-diethoxy-N-{3-[ethyl(phenyl)amino]propyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 541.69 |
| Molecular Formula: | C33 H39 N3 O4 |
| Smiles: | CCN(CCCNC(C1C2c3cc(c(cc3CCN2C(c2ccccc12)=O)OCC)OCC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9158 |
| logD: | 3.8867 |
| logSw: | -3.8816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.611 |
| InChI Key: | UQNAEPGWDQYDQJ-UHFFFAOYSA-N |