3-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
3-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | D145-0148 |
| Compound Name: | 3-[1-(4-chlorophenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzonitrile |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C24 H19 Cl N2 O3 |
| Smiles: | COc1cc2CC(N(C(c3ccc(cc3)[Cl])c2cc1OC)c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2656 |
| logD: | 4.2656 |
| logSw: | -4.89 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.634 |
| InChI Key: | SMMDUJUWDHLFAA-DEOSSOPVSA-N |