2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1064 |
| Compound Name: | 2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C26 H27 N3 O5 |
| Smiles: | CCCCCOc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6222 |
| logD: | 5.6222 |
| logSw: | -5.2437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.438 |
| InChI Key: | VTRDMQCWHNOKMO-UHFFFAOYSA-N |