methyl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
methyl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0352 |
| Compound Name: | methyl 4-{3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | CC1/C(=C/c2ccc(C)s2)C(N(c2ccc(cc2)C(=O)OC)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9317 |
| logD: | 3.9317 |
| logSw: | -4.1601 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.779 |
| InChI Key: | MPMWIKCABYZIEV-UHFFFAOYSA-N |