[4-oxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[4-oxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[4-oxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | Y070-1764 |
| Compound Name: | [4-oxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C24 H21 N3 O3 S3 |
| Smiles: | CCCSc1ccc(cc1)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1666 |
| logD: | 1.0476 |
| logSw: | -3.9765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | BJXREQNCQNSEDX-UHFFFAOYSA-N |