2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0402 |
| Compound Name: | 2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | CCCCCOc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0741 |
| logD: | 6.0741 |
| logSw: | -5.1091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.785 |
| InChI Key: | SOVWJMBZSTXCGF-UHFFFAOYSA-N |