5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-1853 |
| Compound Name: | 5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C26 H19 N5 O2 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccs3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.7767 |
| logD: | 5.7767 |
| logSw: | -5.4867 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.971 |
| InChI Key: | PTLHCHVZSZNDPI-UHFFFAOYSA-N |