6-benzyl-2-[(3-{3-methyl-4-[(propan-2-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-benzyl-2-[(3-{3-methyl-4-[(propan-2-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-benzyl-2-[(3-{3-methyl-4-[(propan-2-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: | 4341-3399 |
| Compound Name: | 6-benzyl-2-[(3-{3-methyl-4-[(propan-2-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: | 561.66 |
| Molecular Formula: | C32 H27 N5 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1C)c1c(/C=C2/C(N3C(=NC(C(Cc4ccccc4)=N3)=O)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9307 |
| logD: | 5.9307 |
| logSw: | -5.5261 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.074 |
| InChI Key: | CHTIUBNHJMKNDU-UHFFFAOYSA-N |