N'-[(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-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]-4,6-dimethyl-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]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Compound characteristics
| Compound ID: | 8020-6089 |
| 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]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide |
| Molecular Weight: | 667.74 |
| Molecular Formula: | C35 H33 N5 O7 S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(N/N=C/c1c(CC3CC(c4ccc(cc4)OC)=NO3)c(c3c(c1OC)OCO3)OC)=O)s2)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3158 |
| logD: | 7.3143 |
| logSw: | -5.8959 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.491 |
| InChI Key: | GCXKTWWVQNNRKJ-QHCPKHFHSA-N |