methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
Chemical Structure Depiction of
methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 2922-2180 |
| Compound Name: | methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate |
| Molecular Weight: | 426.38 |
| Molecular Formula: | C24 H14 N2 O6 |
| Smiles: | COC(c1ccccc1N1C(c2ccc(cc2C1=O)C1=Nc2ccccc2C(=O)O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5011 |
| logD: | 3.5011 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.7 |
| InChI Key: | DQOKYVLGZSAFDU-UHFFFAOYSA-N |