4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | D081-0023 |
| Compound Name: | 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid |
| Molecular Weight: | 465.93 |
| Molecular Formula: | C26 H24 Cl N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)[Cl])c2cc1OCC)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7157 |
| logD: | 2.3205 |
| logSw: | -4.8187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.146 |
| InChI Key: | ZNVZGOQFEJBDFR-VWLOTQADSA-N |