ethyl 4-[9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoate
ethyl 4-[9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoate
Compound characteristics
| Compound ID: | C047-1316 |
| Compound Name: | ethyl 4-[9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoate |
| Molecular Weight: | 606.56 |
| Molecular Formula: | C33 H36 Br N O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C2CC(C)(C)CC(C=2C(C2=C1CC(C)(C)CC2=O)c1cc(ccc1OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8937 |
| logD: | 6.8937 |
| logSw: | -5.699 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.487 |
| InChI Key: | QTLLWAXWYJGRMV-UHFFFAOYSA-N |