N'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Chemical Structure Depiction of
N'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
N'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Compound characteristics
| Compound ID: | 0974-0026 |
| Compound Name: | N'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CC1=C(\C=N/NC(c2csc3CCCCc23)=O)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9501 |
| logD: | 2.8759 |
| logSw: | -3.6155 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.675 |
| InChI Key: | BLPOVMVHUBQOAI-UUYOSTAYSA-N |