2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6114-0022 |
| Compound Name: | 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 401.33 |
| Molecular Formula: | C18 H15 N3 O8 |
| Smiles: | COc1cc(C2C(C#N)=C(N)OC3=C2OC(CO)=CC3=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2679 |
| logD: | 0.2679 |
| logSw: | -1.3384 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 135.051 |
| InChI Key: | ZBILQDCCJWRWBT-HNNXBMFYSA-N |