{9-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
Chemical Structure Depiction of
{9-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
{9-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
Compound characteristics
| Compound ID: | 4103-0297 |
| Compound Name: | {9-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid |
| Molecular Weight: | 580.48 |
| Molecular Formula: | C30 H30 Br N O6 |
| Smiles: | CCOc1cc(cc(c1OCc1ccccc1)[Br])C1C2=C(CCCC2=O)N(CC(O)=O)C2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6907 |
| logD: | 0.388 |
| logSw: | -4.0402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.981 |
| InChI Key: | JQFORHLORSHCTJ-UHFFFAOYSA-N |