5-[(2H-1-benzopyran-3-yl)methylidene]-2-(4-ethoxyphenyl)[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-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2H-1-benzopyran-3-yl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0976 |
| Compound Name: | 5-[(2H-1-benzopyran-3-yl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | [H]C(\C1COc2ccccc2C=1)=C1/C(n2c(nc(c3ccc(cc3)OCC)n2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0445 |
| logD: | 5.0445 |
| logSw: | -4.625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.689 |
| InChI Key: | JVUNSFRAUJXMMR-UHFFFAOYSA-N |