2,5-dimethyl-4'-[(3-methylthiophen-2-yl)methylidene]-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
Chemical Structure Depiction of
2,5-dimethyl-4'-[(3-methylthiophen-2-yl)methylidene]-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
2,5-dimethyl-4'-[(3-methylthiophen-2-yl)methylidene]-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
Compound characteristics
| Compound ID: | Y500-3573 |
| Compound Name: | 2,5-dimethyl-4'-[(3-methylthiophen-2-yl)methylidene]-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccsc1\C=C1/C(c2cc(C)nn2C)=NN(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2626 |
| logD: | 3.2626 |
| logSw: | -3.3058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.483 |
| InChI Key: | VOAXEIUSSIHXIV-UHFFFAOYSA-N |