(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid--acetic acid (1/1)
Chemical Structure Depiction of
(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid--acetic acid (1/1)
(4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | Y070-2342 |
| Compound Name: | (4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid--acetic acid (1/1) |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Salt: | CH3COOH |
| Smiles: | CCCOc1cccc(c1)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9686 |
| logD: | 0.8497 |
| logSw: | -3.9541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.148 |
| InChI Key: | VUENNZHZJKNGAS-MOSHPQCFSA-N |