4-methyl-3-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-methyl-3-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
4-methyl-3-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8008-5706 |
| Compound Name: | 4-methyl-3-[5-(3-nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 430.37 |
| Molecular Formula: | C23 H14 N2 O7 |
| Smiles: | Cc1ccc(cc1N1C(c2ccc(cc2C1=O)C(c1cccc(c1)[N+]([O-])=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7506 |
| logD: | 2.4785 |
| logSw: | -4.4688 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.836 |
| InChI Key: | KNWLZLMPOSAADI-UHFFFAOYSA-N |