3,4-dimethylphenyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
3,4-dimethylphenyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
3,4-dimethylphenyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 1021-1069 |
| Compound Name: | 3,4-dimethylphenyl 4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C23 H16 N2 O6 |
| Smiles: | Cc1ccc(cc1C)OC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7376 |
| logD: | 4.7376 |
| logSw: | -4.6818 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.639 |
| InChI Key: | CMKRAPDGWQVOFW-UHFFFAOYSA-N |