3-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0082 |
| Compound Name: | 3-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 323.78 |
| Molecular Formula: | C19 H14 Cl N O2 |
| Smiles: | C1CN(Cc2ccccc12)C1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3518 |
| logD: | 4.3518 |
| logSw: | -4.71 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8155 |
| InChI Key: | NKKSMUYEACNEJL-UHFFFAOYSA-N |