2-amino-6-(hydroxymethyl)-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(hydroxymethyl)-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-6-(hydroxymethyl)-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6114-0021 |
| Compound Name: | 2-amino-6-(hydroxymethyl)-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 385.29 |
| Molecular Formula: | C17 H11 N3 O8 |
| Smiles: | C(C1=CC(C2=C(C(C(C#N)=C(N)O2)c2cc3c(cc2[N+]([O-])=O)OCO3)O1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5803 |
| logD: | 0.5803 |
| logSw: | -1.3599 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.906 |
| InChI Key: | CJVXQZIBKPTGAG-AWEZNQCLSA-N |