9-{3-bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Chemical Structure Depiction of
9-{3-bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
9-{3-bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Compound characteristics
| Compound ID: | 4984-5619 |
| Compound Name: | 9-{3-bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione |
| Molecular Weight: | 470.36 |
| Molecular Formula: | C24 H24 Br N O4 |
| Smiles: | CCOc1cc(cc(c1OCC#C)[Br])C1C2=C(CCCC2=O)NC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9085 |
| logD: | 0.2453 |
| logSw: | -3.9722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.29 |
| InChI Key: | VOOBJYHTDXFDGO-UHFFFAOYSA-N |