2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(3-methoxyanilino)butyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(3-methoxyanilino)butyl]-1H-isoindole-1,3(2H)-dione
2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(3-methoxyanilino)butyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6471 |
| Compound Name: | 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(3-methoxyanilino)butyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C27 H28 N2 O5 |
| Smiles: | CC1(C)CC(C(=C(CCCN2C(c3ccccc3C2=O)=O)Nc2cccc(c2)OC)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7939 |
| logD: | 2.1459 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.118 |
| InChI Key: | WALGNCLXOQILSA-UHFFFAOYSA-N |