2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
Compound characteristics
Compound ID: | 2054-0707 |
Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate |
Molecular Weight: | 386.36 |
Molecular Formula: | C19 H18 N2 O7 |
Smiles: | C1CC2CC1C1C2C(N(CC(=O)OCC(c2ccc(cc2)[N+]([O-])=O)=O)C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.117 |
logD: | 1.117 |
logSw: | -2.2907 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 97.499 |
InChI Key: | YXWCTSYOWYFRBL-UHFFFAOYSA-N |