3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0821 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C22 H21 N O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.0953 |
| logD: | 5.0953 |
| logSw: | -4.9121 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8155 |
| InChI Key: | AQKZBNNPHGMFGV-UHFFFAOYSA-N |