3-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoic acid
Chemical Structure Depiction of
3-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoic acid
3-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | C047-0356 |
| Compound Name: | 3-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoic acid |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C30 H30 F N O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2c2cccc(c2)C(O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1746 |
| logD: | 2.485 |
| logSw: | -4.9537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.511 |
| InChI Key: | FVIXNPDLRBFTNH-UHFFFAOYSA-N |