2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0794 |
| Compound Name: | 2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H29 N3 O6 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4925 |
| logD: | 3.4925 |
| logSw: | -3.7754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.792 |
| InChI Key: | FCQHSMHYDQIQLD-UHFFFAOYSA-N |