4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8007-3087 |
| Compound Name: | 4-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid |
| Molecular Weight: | 431.36 |
| Molecular Formula: | C22 H13 N3 O7 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1)C(O)=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5405 |
| logD: | 1.1453 |
| logSw: | -3.8096 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.761 |
| InChI Key: | LZVLATDDPLKDJU-UHFFFAOYSA-N |