N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethoxy-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-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C265-0456 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 494.95 |
| Molecular Formula: | C27 H24 Cl F N2 O4 |
| Smiles: | COc1cc2CCN3C(C(C(NCc4ccc(cc4[Cl])F)=O)c4ccccc4C3=O)c2cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7013 |
| logD: | 3.7012 |
| logSw: | -4.1334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.62 |
| InChI Key: | JLLKDFNVLYBAOQ-UHFFFAOYSA-N |