methyl 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | D145-0153 |
| Compound Name: | methyl 4-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C25 H22 Cl N O5 |
| Smiles: | COC(c1ccc(cc1)N1C(c2ccc(cc2)[Cl])c2cc(c(cc2CC1=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6669 |
| logD: | 4.6669 |
| logSw: | -5.1467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.752 |
| InChI Key: | AVMBECGBCNFNHY-DEOSSOPVSA-N |