N'-[(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Chemical Structure Depiction of
N'-[(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
N'-[(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Compound characteristics
| Compound ID: | 8020-5584 |
| Compound Name: | N'-[(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide |
| Molecular Weight: | 697.77 |
| Molecular Formula: | C36 H35 N5 O8 S |
| Smiles: | Cc1cc(COC)c2c(c(C(N/N=C/c3c(CC4CC(c5ccc(cc5)OC)=NO4)c(c4c(c3OC)OCO4)OC)=O)sc2n1)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8202 |
| logD: | 6.8191 |
| logSw: | -5.9089 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.915 |
| InChI Key: | OYCSGRGQZBPCGK-DEOSSOPVSA-N |