3-nitrophenyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
3-nitrophenyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Compound characteristics
| Compound ID: | 1021-0493 |
| Compound Name: | 3-nitrophenyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate |
| Molecular Weight: | 433.33 |
| Molecular Formula: | C21 H11 N3 O8 |
| Smiles: | c1cc(cc(c1)OC(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8189 |
| logD: | 3.8189 |
| logSw: | -4.1832 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.021 |
| InChI Key: | IJGQKAPZWQURKI-UHFFFAOYSA-N |