5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3257 |
| Compound Name: | 5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 506.59 |
| Molecular Formula: | C28 H22 N6 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4cccnc4)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8733 |
| logD: | 4.8061 |
| logSw: | -4.4629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.149 |
| InChI Key: | MHVYNOTXCSKVFA-UHFFFAOYSA-N |