methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(2-benzoylhydrazinyl)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Chemical Structure Depiction of
methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(2-benzoylhydrazinyl)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(2-benzoylhydrazinyl)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Compound characteristics
| Compound ID: | Y600-1577 |
| Compound Name: | methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(2-benzoylhydrazinyl)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | C/C(=C1/C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)NNC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8299 |
| logD: | 2.7942 |
| logSw: | -3.2687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.758 |
| InChI Key: | DIDHHVINOBGYJZ-UHFFFAOYSA-N |