2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(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-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6000-2155 |
| Compound Name: | 2-(3-methyl-1-benzofuran-2-yl)-5-{[4-(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: | CCCCCOc1ccc(\C=C2/C(n3c(nc(c4c(C)c5ccccc5o4)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.985 |
| logD: | 6.985 |
| logSw: | -5.8257 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.14 |
| InChI Key: | RNBFIMSDGINLFN-UHFFFAOYSA-N |