5-{[3-(3-nitrophenyl)-1-phenyl-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-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(3-nitrophenyl)-1-phenyl-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: | 5629-2114 |
| Compound Name: | 5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 493.5 |
| Molecular Formula: | C25 H15 N7 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccncc3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4707 |
| logD: | 4.4705 |
| logSw: | -4.4707 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.638 |
| InChI Key: | PHVAGYSHWFFPOT-UHFFFAOYSA-N |