N-[(2-chloro-4-fluorophenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0220 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 523 |
| Molecular Formula: | C29 H28 Cl F N2 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCc4ccc(cc4[Cl])F)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9925 |
| logD: | 3.9924 |
| logSw: | -4.4683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.78 |
| InChI Key: | YVUKGNHCNMXVDJ-UHFFFAOYSA-N |