2-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzonitrile
Chemical Structure Depiction of
2-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzonitrile
2-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | C047-1220 |
| Compound Name: | 2-[9-(4-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzonitrile |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C30 H29 F N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2c2ccccc2C#N)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9888 |
| logD: | 4.9888 |
| logSw: | -4.7937 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.858 |
| InChI Key: | NMKXEKOJTWUBLQ-UHFFFAOYSA-N |