5-[(2H-1-benzopyran-3-yl)methylidene]-2-(3-chlorophenyl)[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-(3-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2H-1-benzopyran-3-yl)methylidene]-2-(3-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2081 |
| Compound Name: | 5-[(2H-1-benzopyran-3-yl)methylidene]-2-(3-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C20 H12 Cl N3 O2 S |
| Smiles: | [H]C(\C1COc2ccccc2C=1)=C1/C(n2c(nc(c3cccc(c3)[Cl])n2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3365 |
| logD: | 5.3365 |
| logSw: | -5.9054 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.566 |
| InChI Key: | HCNAKHQQOQNHRK-UHFFFAOYSA-N |