benzyl 7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Chemical Structure Depiction of
benzyl 7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
benzyl 7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Compound characteristics
| Compound ID: | 7773-0025 |
| Compound Name: | benzyl 7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C20 H16 N4 O6 |
| Smiles: | C1C(C(=O)OCc2ccccc2)=NNC12CC(N(C2=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8869 |
| logD: | 1.364 |
| logSw: | -2.392 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.505 |
| InChI Key: | HNWFJJLWKNZINW-FQEVSTJZSA-N |