2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 4341-3379 |
| Compound Name: | 2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 547.64 |
| Molecular Formula: | C31 H25 N5 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1C)c1c(/C=C2/C(N3C(=NC(C(c4ccccc4)=N3)=O)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7974 |
| logD: | 5.7974 |
| logSw: | -5.5781 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.17 |
| InChI Key: | PPHUWKZRQKQCEP-UHFFFAOYSA-N |