2-[(3-{2-methyl-4-[(prop-2-en-1-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-{2-methyl-4-[(prop-2-en-1-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-{2-methyl-4-[(prop-2-en-1-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: | 5629-2404 |
| Compound Name: | 2-[(3-{2-methyl-4-[(prop-2-en-1-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: | 545.62 |
| Molecular Formula: | C31 H23 N5 O3 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1C)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.6534 |
| logD: | 5.6534 |
| logSw: | -5.5252 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.699 |
| InChI Key: | CPVIHJPVWDRCIZ-UHFFFAOYSA-N |