2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-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-4,7-methanoisoindol-2-yl)acetate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 4483-3301 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C20 H18 N2 O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7371 |
| logD: | 1.7371 |
| logSw: | -2.3184 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.198 |
| InChI Key: | KOTBAVYTFOXIEH-UHFFFAOYSA-N |