ethyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}amino)benzoate
ethyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C096-1481 |
| Compound Name: | ethyl 2-({2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}amino)benzoate |
| Molecular Weight: | 552.6 |
| Molecular Formula: | C33 H29 F N2 O5 |
| Smiles: | CCOC(c1ccccc1NC(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9163 |
| logD: | 5.4762 |
| logSw: | -5.5851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.342 |
| InChI Key: | GBSBTQGVFHLFGP-UHFFFAOYSA-N |