3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0626 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C21 H19 N O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.7223 |
| logD: | 4.7223 |
| logSw: | -4.4727 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8155 |
| InChI Key: | PBJZWTSDXRNSID-UHFFFAOYSA-N |