2-(4-{[(3,5-dimethoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[(3,5-dimethoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[(3,5-dimethoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0092 |
| Compound Name: | 2-(4-{[(3,5-dimethoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C23 H25 N3 O6 |
| Smiles: | COc1cc(CNc2ccc(cc2[N+]([O-])=O)N2C(C3CCCCC3C2=O)=O)cc(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4777 |
| logD: | 3.4777 |
| logSw: | -3.8482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.777 |
| InChI Key: | GSQXKCZNSGWLAP-UHFFFAOYSA-N |