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-(methoxymethyl)-6-methyl-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-(methoxymethyl)-6-methyl-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-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Compound characteristics
| Compound ID: | 8020-5588 |
| 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-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide |
| Molecular Weight: | 702.19 |
| Molecular Formula: | C35 H32 Cl N5 O7 S |
| Smiles: | Cc1cc(COC)c2c(c(C(N/N=C/c3c(CC4CC(c5ccc(cc5)[Cl])=NO4)c(c4c(c3OC)OCO4)OC)=O)sc2n1)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4326 |
| logD: | 7.4315 |
| logSw: | -6.5391 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.371 |
| InChI Key: | SVMZYFZRAULRLP-HSZRJFAPSA-N |