ethyl 5-{[6-(2,2-dicyanoethenyl)-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-(2,2-dicyanoethenyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-{[6-(2,2-dicyanoethenyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6589 |
| Compound Name: | ethyl 5-{[6-(2,2-dicyanoethenyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | CCOC(C1CC(Cc2c(C=C(C#N)C#N)c(c3c(c2OC)OCO3)OC)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8217 |
| logD: | 2.8217 |
| logSw: | -2.9344 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 109.859 |
| InChI Key: | DHDYEHQCWMPUMP-GFCCVEGCSA-N |