2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-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 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4483-3323 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C25 H22 N2 O7 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1cccc(c1)C(=O)OCC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4741 |
| logD: | 3.4741 |
| logSw: | -4.064 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.257 |
| InChI Key: | UJRCGSUNSKWWKQ-UHFFFAOYSA-N |