5-[(2H-1-benzopyran-3-yl)methylidene]-2-[2-(4-methylphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2H-1-benzopyran-3-yl)methylidene]-2-[2-(4-methylphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2H-1-benzopyran-3-yl)methylidene]-2-[2-(4-methylphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-3862 |
| Compound Name: | 5-[(2H-1-benzopyran-3-yl)methylidene]-2-[2-(4-methylphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C23 H17 N3 O2 S |
| Smiles: | Cc1ccc(/C=C/c2nc3n(C(/C(=C/C4COc5ccccc5C=4)S3)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2147 |
| logD: | 5.2147 |
| logSw: | -5.124 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.556 |
| InChI Key: | BGRFAUUCRHUQKR-UHFFFAOYSA-N |