N-(3-fluoro-4-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-fluoro-4-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1397 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C31 H26 F2 N2 O3 |
| Smiles: | Cc1ccc(cc1F)NC(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9992 |
| logD: | 5.9899 |
| logSw: | -5.5776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.286 |
| InChI Key: | FIUNSEQKUKYCQK-UHFFFAOYSA-N |