4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
Chemical Structure Depiction of
4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | 8013-2477 |
| Compound Name: | 4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid |
| Molecular Weight: | 443.37 |
| Molecular Formula: | C20 H17 N3 O9 |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)NC(CCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4255 |
| logD: | -1.6419 |
| logSw: | -2.4183 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.972 |
| InChI Key: | DQMKGMNNEBDSHV-UHFFFAOYSA-N |