N-(5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
N-(5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | 4476-2368 |
| Compound Name: | N-(5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-methylbenzamide |
| Molecular Weight: | 605.53 |
| Molecular Formula: | C28 H21 Br N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)C(NN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(c(c2)[Br])OC)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9206 |
| logD: | 5.8892 |
| logSw: | -5.5031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.107 |
| InChI Key: | WGQLRCVIFSHWQN-UHFFFAOYSA-N |