3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3043-0158 |
| Compound Name: | 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1cccc(c1)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6143 |
| logD: | 3.6143 |
| logSw: | -3.8331 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.831 |
| InChI Key: | MXMQSSRBPPKJAF-UHFFFAOYSA-N |