ethyl 5-{[6-({2-[5-(hydroxymethyl)-1,2-oxazole-3-carbonyl]hydrazinylidene}methyl)-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-({2-[5-(hydroxymethyl)-1,2-oxazole-3-carbonyl]hydrazinylidene}methyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-{[6-({2-[5-(hydroxymethyl)-1,2-oxazole-3-carbonyl]hydrazinylidene}methyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6864 |
| Compound Name: | ethyl 5-{[6-({2-[5-(hydroxymethyl)-1,2-oxazole-3-carbonyl]hydrazinylidene}methyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 504.45 |
| Molecular Formula: | C22 H24 N4 O10 |
| Smiles: | CCOC(C1CC(Cc2c(\C=N/NC(c3cc(CO)on3)=O)c(c3c(c2OC)OCO3)OC)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4814 |
| logD: | 2.4812 |
| logSw: | -2.6708 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 149.154 |
| InChI Key: | VIOZRXFPDJJAPJ-LLVKDONJSA-N |