propan-2-yl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
propan-2-yl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0351 |
| Compound Name: | propan-2-yl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(C)s2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5366 |
| logD: | 4.5366 |
| logSw: | -4.2824 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.038 |
| InChI Key: | ZOKFYMAIXSRMIX-UHFFFAOYSA-N |