N-(3-chloro-4-fluorophenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(3-chloro-4-fluorophenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0014 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C28 H26 Cl F N2 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(Nc4ccc(c(c4)[Cl])F)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2722 |
| logD: | 3.9644 |
| logSw: | -4.5281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.458 |
| InChI Key: | YJLNOXSLLDCSBV-UHFFFAOYSA-N |