ethyl 5-[(6,7-dimethoxy-4-{(E)-[2-(2-oxopiperidine-3-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(6,7-dimethoxy-4-{(E)-[2-(2-oxopiperidine-3-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-[(6,7-dimethoxy-4-{(E)-[2-(2-oxopiperidine-3-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8020-0549 |
| Compound Name: | ethyl 5-[(6,7-dimethoxy-4-{(E)-[2-(2-oxopiperidine-3-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 504.5 |
| Molecular Formula: | C23 H28 N4 O9 |
| Smiles: | CCOC(C1CC(Cc2c(/C=N/NC(C3CCCNC3=O)=O)c3c(c(c2OC)OC)OCO3)ON=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0263 |
| logD: | 2.026 |
| logSw: | -2.2716 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.334 |
| InChI Key: | IKDZYALPMKRZRR-UHFFFAOYSA-N |