5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-2018 |
| Compound Name: | 5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C23 H14 N6 O S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccncc3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 4.3876 |
| logD: | 4.3874 |
| logSw: | -4.2986 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.275 |
| InChI Key: | JASUIIVBFVAFOM-UHFFFAOYSA-N |