2-[3-nitro-4-(4-phenoxyanilino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(4-phenoxyanilino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[3-nitro-4-(4-phenoxyanilino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0378 |
| Compound Name: | 2-[3-nitro-4-(4-phenoxyanilino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C26 H21 N3 O5 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)Nc1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7817 |
| logD: | 5.7817 |
| logSw: | -5.6086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.115 |
| InChI Key: | APVVTXJHBDKJKL-UHFFFAOYSA-N |