2-(3-nitrophenyl)-2-oxoethyl 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
2-(3-nitrophenyl)-2-oxoethyl 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Compound characteristics
| Compound ID: | 4483-3080 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate |
| Molecular Weight: | 578.58 |
| Molecular Formula: | C33 H26 N2 O8 |
| Smiles: | CC(C)c1ccc(C)cc1Oc1ccc(cc1)N1C(c2ccc(cc2C1=O)C(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3044 |
| logD: | 7.3044 |
| logSw: | -5.6737 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.2 |
| InChI Key: | NQEKOTUBMGXQSQ-UHFFFAOYSA-N |