4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-2-nitrophenyl benzoate
Chemical Structure Depiction of
4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-2-nitrophenyl benzoate
4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-2-nitrophenyl benzoate
Compound characteristics
| Compound ID: | 8003-5110 |
| Compound Name: | 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-2-nitrophenyl benzoate |
| Molecular Weight: | 415.36 |
| Molecular Formula: | C22 H13 N3 O6 |
| Smiles: | C(\c1ccc(c(c1)[N+]([O-])=O)OC(c1ccccc1)=O)=N/N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2217 |
| logD: | 3.2217 |
| logSw: | -3.8549 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.452 |
| InChI Key: | CGGPMNDREOQOBE-UHFFFAOYSA-N |