5-[(2H-1-benzopyran-3-yl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[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-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2H-1-benzopyran-3-yl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0530 |
| Compound Name: | 5-[(2H-1-benzopyran-3-yl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C23 H17 N3 O3 S |
| Smiles: | C=CCOc1ccc(cc1)c1nc2n(C(/C(=C\C3COc4ccccc4C=3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2087 |
| logD: | 5.2087 |
| logSw: | -5.5341 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.984 |
| InChI Key: | PLCTVXFPHAWWHU-UHFFFAOYSA-N |