ethyl 3-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
ethyl 3-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C066-2242 |
| Compound Name: | ethyl 3-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8829 |
| logD: | 4.8825 |
| logSw: | -4.4607 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.791 |
| InChI Key: | FSRCTEQZRLDTHJ-UHFFFAOYSA-N |