methyl 4-{4-[(5-methylthiophen-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[(5-methylthiophen-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
methyl 4-{4-[(5-methylthiophen-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0104 |
| Compound Name: | methyl 4-{4-[(5-methylthiophen-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | Cc1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8051 |
| logD: | 2.6788 |
| logSw: | -3.3581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.952 |
| InChI Key: | XSLMEPAJXPTMBZ-UHFFFAOYSA-N |