2-(3-chlorophenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-chlorophenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2145 |
| Compound Name: | 2-(3-chlorophenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 542.02 |
| Molecular Formula: | C28 H20 Cl N5 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccc(c3)[Cl])n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0591 |
| logD: | 6.0591 |
| logSw: | -6.0829 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.089 |
| InChI Key: | YVPFXLXAOMRLTN-UHFFFAOYSA-N |