[5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | Y070-1833 |
| Compound Name: | [5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C23 H19 N3 O3 S3 |
| Smiles: | CCSc1ccc(cc1)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8554 |
| logD: | 0.7364 |
| logSw: | -3.9094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | LRDWWFDWWWFJIH-UHFFFAOYSA-N |