2-(diethylamino)ethyl 4-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
2-(diethylamino)ethyl 4-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C066-2441 |
| Compound Name: | 2-(diethylamino)ethyl 4-[(8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carbonyl)amino]benzoate |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C31 H33 N3 O4 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0211 |
| logD: | 4.0527 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.496 |
| InChI Key: | ZIRHKHIZZFWYBB-UHFFFAOYSA-N |