5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0470 |
| Compound Name: | 5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\C3=Cc4ccccc4OC3C)S2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0262 |
| logD: | 7.0262 |
| logSw: | -5.7047 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.265 |
| InChI Key: | JQLUONDUVWVSQZ-KRWDZBQOSA-N |