2-methyl-3-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
Chemical Structure Depiction of
2-methyl-3-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
2-methyl-3-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | 3226-2126 |
| Compound Name: | 2-methyl-3-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | Cc1c(cccc1NC(CN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.084 |
| logD: | -0.7789 |
| logSw: | -2.9537 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.732 |
| InChI Key: | NLARURLQXRPOBO-UHFFFAOYSA-N |