2-(4-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
2-(4-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 2054-0669 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C24 H20 N2 O7 |
| Smiles: | C1CC2CC1C1C2C(N(C1=O)c1ccc(cc1)C(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6544 |
| logD: | 2.6544 |
| logSw: | -2.8682 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.211 |
| InChI Key: | XJACHFFQDNQMHZ-UHFFFAOYSA-N |