ethyl 5-{[6-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[6-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-{[6-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6590 |
| Compound Name: | ethyl 5-{[6-(3-amino-2-cyano-3-oxoprop-1-en-1-yl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 431.4 |
| Molecular Formula: | C20 H21 N3 O8 |
| Smiles: | CCOC(C1CC(Cc2c(\C=C(/C#N)C(N)=O)c(c3c(c2OC)OCO3)OC)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8332 |
| logD: | 1.8332 |
| logSw: | -1.8364 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.861 |
| InChI Key: | YEIRAWYUYXFBTH-LLVKDONJSA-N |