N'-[(6-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-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'-[(6-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
N'-[(6-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-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: | 8020-6091 |
| Compound Name: | N'-[(6-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide |
| Molecular Weight: | 672.16 |
| Molecular Formula: | C34 H30 Cl N5 O6 S |
| Smiles: | Cc1cc(C)nc2c1c(c(C(N/N=C/c1c(CC3CC(c4ccc(cc4)[Cl])=NO3)c(c3c(c1OC)OCO3)OC)=O)s2)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9282 |
| logD: | 7.9266 |
| logSw: | -6.6083 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.948 |
| InChI Key: | SHNPHGVHBOFCHH-JOCHJYFZSA-N |