2-[4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
2-[4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6874 |
| Compound Name: | 2-[4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C30 H34 N2 O6 |
| Smiles: | CC1(C)CC(C(=C(CCCN2C(c3ccccc3C2=O)=O)NCCc2ccc(c(c2)OC)OC)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9095 |
| logD: | 2.8829 |
| logSw: | -3.506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83 |
| InChI Key: | PRJANVFSHWSJTB-UHFFFAOYSA-N |