N-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0792 |
| Compound Name: | N-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | CCOc1ccccc1NC(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4142 |
| logD: | 4.4117 |
| logSw: | -4.2741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.847 |
| InChI Key: | XTEPQBVWLWSOLY-UHFFFAOYSA-N |