2-[4-(3,4-dimethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(3,4-dimethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[4-(3,4-dimethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0356 |
| Compound Name: | 2-[4-(3,4-dimethoxyanilino)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | COc1ccc(cc1OC)Nc1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6265 |
| logD: | 3.6265 |
| logSw: | -3.9498 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.628 |
| InChI Key: | JDCJZUOWUUAPOF-UHFFFAOYSA-N |