2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C080-0066 |
| Compound Name: | 2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C27 H25 F N2 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(NCc2ccc(cc2)F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7435 |
| logD: | 3.7434 |
| logSw: | -4.0206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.552 |
| InChI Key: | XBYACHSREHGMBG-UHFFFAOYSA-N |