3-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
3-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 1606-0398 |
| Compound Name: | 3-{[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)NC(c1ccc2C(N(C(c2c1)=O)c1cccc(c1)[N+]([O-])=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8162 |
| logD: | 0.9304 |
| logSw: | -4.1067 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.761 |
| InChI Key: | YDRPTMITLOHSBP-UHFFFAOYSA-N |