4-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
4-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | C508-0046 |
| Compound Name: | 4-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | C1CCC(CC1)Sc1ccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5198 |
| logD: | 4.4511 |
| logSw: | -4.3349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.742 |
| InChI Key: | BXJZMKFEFQJTOV-UHFFFAOYSA-N |