2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4483-3297 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C24 H20 N2 O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(c1ccccc1N1C(C2CC=CCC2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7173 |
| logD: | 3.7173 |
| logSw: | -4.1803 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.956 |
| InChI Key: | MQTOUGPJKRLEGM-UHFFFAOYSA-N |