dimethyl 7-(4-nitrophenyl)-2,4a,5,9-tetrahydro-7H-[1,3]dioxepino[5,6-d]pyridazine-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 7-(4-nitrophenyl)-2,4a,5,9-tetrahydro-7H-[1,3]dioxepino[5,6-d]pyridazine-1,4-dicarboxylate
dimethyl 7-(4-nitrophenyl)-2,4a,5,9-tetrahydro-7H-[1,3]dioxepino[5,6-d]pyridazine-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 5858-0028 |
| Compound Name: | dimethyl 7-(4-nitrophenyl)-2,4a,5,9-tetrahydro-7H-[1,3]dioxepino[5,6-d]pyridazine-1,4-dicarboxylate |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C17 H17 N3 O8 |
| Smiles: | COC(C1=C2COC(c3ccc(cc3)[N+]([O-])=O)OCC2C(C(=O)OC)=NN1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5751 |
| logD: | -0.7032 |
| logSw: | -2.1344 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.461 |
| InChI Key: | ZYWVWHSFPFMQEF-UHFFFAOYSA-N |