ethyl 1~4~-methyl-3~3~-nitro-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate
Chemical Structure Depiction of
ethyl 1~4~-methyl-3~3~-nitro-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate
ethyl 1~4~-methyl-3~3~-nitro-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate
Compound characteristics
| Compound ID: | C288-0175 |
| Compound Name: | ethyl 1~4~-methyl-3~3~-nitro-2~5~-oxo-2~2~,2~3~,2~4~,2~5~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CCOC(C1C(CC(=CC1=O)c1ccc(C)cc1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6406 |
| logD: | 4.6402 |
| logSw: | -4.4881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.271 |
| InChI Key: | STYXNBHBSPXUQK-UHFFFAOYSA-N |