N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C080-0018 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 496.92 |
| Molecular Formula: | C26 H22 Cl F N2 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(Nc2ccc(c(c2)[Cl])F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8754 |
| logD: | 4.6115 |
| logSw: | -4.9431 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.23 |
| InChI Key: | AUFLEABJMRHFLV-UHFFFAOYSA-N |