4-{[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
4-{[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8008-7961 |
| Compound Name: | 4-{[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid |
| Molecular Weight: | 426.38 |
| Molecular Formula: | C24 H14 N2 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)N1C(c2ccc(cc2C1=O)C1=Nc2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5137 |
| logD: | 0.5422 |
| logSw: | -3.6386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.847 |
| InChI Key: | LKDVGDNJWVITNV-UHFFFAOYSA-N |