ethyl 5-[(6,7-dimethoxy-4-{[2-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-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-{[2-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-[(6,7-dimethoxy-4-{[2-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6991 |
| Compound Name: | ethyl 5-[(6,7-dimethoxy-4-{[2-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbonyl)hydrazinylidene]methyl}-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 557.54 |
| Molecular Formula: | C24 H23 N5 O9 S |
| Smiles: | CCOC(C1CC(Cc2c(\C=N/NC(C3=CC(N4C=CSC4=N3)=O)=O)c3c(c(c2OC)OC)OCO3)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1324 |
| logD: | 2.0194 |
| logSw: | -2.472 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.911 |
| InChI Key: | MYVFFIKDSRSZAT-LBPRGKRZSA-N |