3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-nitrobenzoate
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 4483-2517 |
| Compound Name: | 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 406.39 |
| Molecular Formula: | C22 H18 N2 O6 |
| Smiles: | C1CC2CC1C1C2C(N(C1=O)c1cccc(c1)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7616 |
| logD: | 2.7616 |
| logSw: | -3.3036 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.484 |
| InChI Key: | GJCVLNBCDWBENC-UHFFFAOYSA-N |