5-(4-nitroanilino)-5-oxopentane-1,2,3,4-tetrayl tetraacetate
Chemical Structure Depiction of
5-(4-nitroanilino)-5-oxopentane-1,2,3,4-tetrayl tetraacetate
5-(4-nitroanilino)-5-oxopentane-1,2,3,4-tetrayl tetraacetate
Compound characteristics
| Compound ID: | 8009-9691 |
| Compound Name: | 5-(4-nitroanilino)-5-oxopentane-1,2,3,4-tetrayl tetraacetate |
| Molecular Weight: | 454.39 |
| Molecular Formula: | C19 H22 N2 O11 |
| Smiles: | CC(=O)OCC(C(C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1471 |
| logD: | 1.1386 |
| logSw: | -2.3472 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.632 |
| InChI Key: | JQMMGKHXZTXALX-UHFFFAOYSA-N |