methyl 4-[1-(4-fluorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(4-fluorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 4-[1-(4-fluorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | D145-0179 |
| Compound Name: | methyl 4-[1-(4-fluorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C25 H22 F N O5 |
| Smiles: | COC(c1ccc(cc1)N1C(c2ccc(cc2)F)c2cc(c(cc2CC1=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1013 |
| logD: | 4.1013 |
| logSw: | -4.369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.752 |
| InChI Key: | OHDMMNSWLUBHHX-DEOSSOPVSA-N |