4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
Chemical Structure Depiction of
4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | 3226-1528 |
| Compound Name: | 4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoic acid |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | C(CN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1297 |
| logD: | -0.2655 |
| logSw: | -3.0047 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.409 |
| InChI Key: | VQOGSKNTGAIALL-UHFFFAOYSA-N |