2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Compound characteristics
| Compound ID: | 4483-1375 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C22 H22 N2 O7 |
| Smiles: | CC(C)C(C(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5281 |
| logD: | 2.5281 |
| logSw: | -2.712 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.055 |
| InChI Key: | JYXRCIHCCPCYCC-UHFFFAOYSA-N |