N-[(2-chloro-4-fluorophenyl)methyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2237 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 500.93 |
| Molecular Formula: | C26 H23 Cl F2 N2 O4 |
| Smiles: | CN1C(C(C(NCc2ccc(cc2[Cl])F)=O)c2cc(c(cc2C1=O)OC)OC)c1ccccc1F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9617 |
| logD: | 3.9617 |
| logSw: | -4.3849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.363 |
| InChI Key: | KGTSSBCPHTVWOI-UHFFFAOYSA-N |