ethyl 5-({4-[(2-carbamothioylhydrazinylidene)methyl]-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({4-[(2-carbamothioylhydrazinylidene)methyl]-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-({4-[(2-carbamothioylhydrazinylidene)methyl]-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-6874 |
| Compound Name: | ethyl 5-({4-[(2-carbamothioylhydrazinylidene)methyl]-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C18 H22 N4 O7 S |
| Smiles: | CCOC(C1CC(Cc2c(/C=N/NC(N)=S)c3c(c(c2OC)OC)OCO3)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9313 |
| logD: | 2.9313 |
| logSw: | -3.1768 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.554 |
| InChI Key: | LEXUBVUHUKALCU-VIFPVBQESA-N |