2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 4483-1360 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C24 H18 N2 O7 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1cccc(c1)C(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8662 |
| logD: | 2.8662 |
| logSw: | -3.3146 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.211 |
| InChI Key: | HMXCSNDPAQCORK-UHFFFAOYSA-N |