5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y070-0054 |
| Compound Name: | 5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C23 H20 Br N3 O S2 |
| Smiles: | CCCCN1C(/C(=C/c2cn(c3ccccc3)nc2c2ccc(cc2)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5006 |
| logD: | 6.5006 |
| logSw: | -5.7035 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.3249 |
| InChI Key: | BDJGLHPITRNGSX-UHFFFAOYSA-N |