ethyl 2-{[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 2-{[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C096-0791 |
| Compound Name: | ethyl 2-{[3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C28 H27 F N2 O5 |
| Smiles: | CCOC(c1ccccc1NC(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5078 |
| logD: | 4.0678 |
| logSw: | -4.1796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.391 |
| InChI Key: | HIDRWUDSUZPWIF-UHFFFAOYSA-N |