5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y070-0414 |
| Compound Name: | 5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)c1c(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4303 |
| logD: | 4.4303 |
| logSw: | -4.2966 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.273 |
| InChI Key: | PMEPCZYVNJEKKK-OAQYLSRUSA-N |