ethyl 5-{[6-({2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-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-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-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-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-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: | 8020-6090 |
| Compound Name: | ethyl 5-{[6-({2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]hydrazinylidene}methyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 633.68 |
| Molecular Formula: | C31 H31 N5 O8 S |
| Smiles: | CCOC(C1CC(Cc2c(/C=N/NC(c3c(c4c(C)cc(C)nc4s3)n3cccc3)=O)c(c3c(c2OC)OCO3)OC)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9619 |
| logD: | 5.9603 |
| logSw: | -5.6602 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.973 |
| InChI Key: | LTHYKQZWLOXFJC-SFHVURJKSA-N |