[5-({3-[4-(benzyloxy)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-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 5999-4321 |
| Compound Name: | [5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C28 H21 N3 O4 S2 |
| Smiles: | [H]C(=C1/C(N(CC(O)=O)C(=S)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2564 |
| logD: | 1.1375 |
| logSw: | -4.3547 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.958 |
| InChI Key: | HDIOLDOPTOASEW-UHFFFAOYSA-N |