2-oxo-2-phenylethyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
2-oxo-2-phenylethyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
2-oxo-2-phenylethyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0627-0272 |
| Compound Name: | 2-oxo-2-phenylethyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 430.37 |
| Molecular Formula: | C23 H14 N2 O7 |
| Smiles: | C(C(c1ccccc1)=O)OC(c1ccc(cc1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6095 |
| logD: | 2.6095 |
| logSw: | -3.3579 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.065 |
| InChI Key: | WOMSHVZDJQSXIU-UHFFFAOYSA-N |