6-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 4341-3362 |
| Compound Name: | 6-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C26 H21 N5 O3 S |
| Smiles: | CC1C(N=C2N(C(/C(=C/c3cn(c4ccccc4)nc3c3ccc(c(C)c3)OCC=C)S2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6691 |
| logD: | 4.6691 |
| logSw: | -4.564 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.23 |
| InChI Key: | NFEATWCYAOVACK-UHFFFAOYSA-N |