2-(4-{[(2-methoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[(2-methoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[(2-methoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0179 |
| Compound Name: | 2-(4-{[(2-methoxyphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | COc1ccccc1CNc1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.449 |
| logD: | 3.449 |
| logSw: | -3.7194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | GPMMWFLDAAOBLA-UHFFFAOYSA-N |