2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 4483-3298 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C19 H18 N2 O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(CN1C(C2CC=CCC2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2727 |
| logD: | 2.2727 |
| logSw: | -2.9717 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.545 |
| InChI Key: | CXQJULGCQBTONZ-UHFFFAOYSA-N |