5-[(2-methyl-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-[(2-methyl-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-[(2-methyl-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: | 6672-0528 |
| Compound Name: | 5-[(2-methyl-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: | 429.5 |
| Molecular Formula: | C24 H19 N3 O3 S |
| Smiles: | CC1C(=Cc2ccccc2O1)\C=C1/C(n2c(nc(c3ccc(cc3)OCC=C)n2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5769 |
| logD: | 5.5769 |
| logSw: | -5.5821 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.265 |
| InChI Key: | VVTOGGWFXYENAE-HNNXBMFYSA-N |