1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8009-3148 |
| Compound Name: | 1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 412.36 |
| Molecular Formula: | C23 H12 N2 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc(cc1)N1C(c3ccc(cc3C1=O)C(O)=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.3055 |
| logD: | -0.6721 |
| logSw: | -3.8108 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.235 |
| InChI Key: | PEGXYQWLLGILFP-UHFFFAOYSA-N |