rel-(3aR,7aS)-2-{2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5782-4245 |
| Compound Name: | rel-(3aR,7aS)-2-{2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 393.41 |
| Molecular Formula: | C23 H20 F N O4 |
| Smiles: | CC1C[C@@H]2C(N(C([C@@H]2CC=1)=O)c1ccccc1OCC(c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5064 |
| logD: | 3.5064 |
| logSw: | -3.7794 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.332 |
| InChI Key: | FPGRMHSUMDDHFN-ZWKOTPCHSA-N |