2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D027-0044 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C25 H23 N3 O6 |
| Smiles: | COc1ccc(cc1NC(C(Cc1ccccc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0724 |
| logD: | 2.8853 |
| logSw: | -3.4559 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.667 |
| InChI Key: | KYMOJMFPDPPDSY-UHFFFAOYSA-N |