2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0421 |
| Compound Name: | 2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C25 H27 N3 O6 |
| Smiles: | CN(CCc1ccc(c(c1)OC)OC)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0351 |
| logD: | 3.0351 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.046 |
| InChI Key: | ZROCPVLQEJZDGX-UHFFFAOYSA-N |