4-methyl-3-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-methyl-3-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
4-methyl-3-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 2922-1973 |
| Compound Name: | 4-methyl-3-{[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid |
| Molecular Weight: | 445.39 |
| Molecular Formula: | C23 H15 N3 O7 |
| Smiles: | Cc1ccc(cc1NC(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8462 |
| logD: | 1.3783 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.063 |
| InChI Key: | CVGHJUYFIRTXJT-UHFFFAOYSA-N |