N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
Chemical Structure Depiction of
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
Compound characteristics
| Compound ID: | Y501-9201 |
| Compound Name: | N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Smiles: | Cc1c(/C=N/NC(CN2C=Nc3c(C2=O)c2CCCCc2s3)=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1946 |
| logD: | 3.1913 |
| logSw: | -3.4776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.954 |
| InChI Key: | IODZQIWTUSCBMA-UHFFFAOYSA-N |