2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0752 |
| Compound Name: | 2-(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-3-nitrophenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C26 H31 N3 O6 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N(C)CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4734 |
| logD: | 3.4734 |
| logSw: | -3.7639 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.046 |
| InChI Key: | BUFGVSILKSWZNN-UHFFFAOYSA-N |