4-{2-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenoxy}benzonitrile
Chemical Structure Depiction of
4-{2-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenoxy}benzonitrile
4-{2-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenoxy}benzonitrile
Compound characteristics
| Compound ID: | 8009-7485 |
| Compound Name: | 4-{2-[rel-(3aR,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]phenoxy}benzonitrile |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C21 H16 N2 O3 |
| Smiles: | C1C=CC[C@H]2C(N(C([C@@H]12)=O)c1ccccc1Oc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2271 |
| logD: | 3.2271 |
| logSw: | -3.6857 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.662 |
| InChI Key: | LKAJSEKDBIYPOW-IRXDYDNUSA-N |