2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0974 |
| Compound Name: | 2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C21 H15 N3 O2 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3c(C)c4ccccc4o3)n2)S1)=O)\c1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.7219 |
| logD: | 5.7219 |
| logSw: | -5.8786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.722 |
| InChI Key: | BHBJAXOTWWFVMN-UHFFFAOYSA-N |