3-{acetyl[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
3-{acetyl[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
3-{acetyl[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 1473-0526 |
| Compound Name: | 3-{acetyl[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | CC(N(CN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3837 |
| logD: | -0.3016 |
| logSw: | -2.5676 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.065 |
| InChI Key: | DNSAWIIFEVZBLY-UHFFFAOYSA-N |