2-(4-{[2-(diethylamino)ethyl](methyl)amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(diethylamino)ethyl](methyl)amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[2-(diethylamino)ethyl](methyl)amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0210 |
| Compound Name: | 2-(4-{[2-(diethylamino)ethyl](methyl)amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H30 N4 O4 |
| Smiles: | CCN(CC)CCN(C)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4349 |
| logD: | 1.0458 |
| logSw: | -2.8401 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.467 |
| InChI Key: | VRJTYGPXRYKAQI-UHFFFAOYSA-N |