2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4483-3306 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C25 H22 N2 O7 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(c1cccc(c1)N1C(C2C3CCC(C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.306 |
| logD: | 3.306 |
| logSw: | -3.8187 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.91 |
| InChI Key: | PRQOTWQQZHJXIK-UHFFFAOYSA-N |