methyl 4-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
methyl 4-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
Compound characteristics
| Compound ID: | V011-2379 |
| Compound Name: | methyl 4-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate |
| Molecular Weight: | 483.92 |
| Molecular Formula: | C26 H23 Cl F N O5 |
| Smiles: | COC(c1ccc(cc1)C(N1CCc2cc(c(cc2C1c1c(cccc1[Cl])F)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.688 |
| logD: | 4.688 |
| logSw: | -4.9481 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.296 |
| InChI Key: | IVYBGDQIENRZKH-DEOSSOPVSA-N |