2-(3-methyl-1-benzofuran-2-yl)-5-{[2-(pentyloxy)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-{[2-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-methyl-1-benzofuran-2-yl)-5-{[2-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 5606-3995 |
Compound Name: | 2-(3-methyl-1-benzofuran-2-yl)-5-{[2-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 445.54 |
Molecular Formula: | C25 H23 N3 O3 S |
Smiles: | CCCCCOc1ccccc1\C=C1/C(n2c(nc(c3c(C)c4ccccc4o3)n2)S1)=O |
Stereo: | ACHIRAL |
logP: | 7.3458 |
logD: | 7.3458 |
logSw: | -5.8083 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.226 |
InChI Key: | LFSOQWBXVJFSER-UHFFFAOYSA-N |