5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0661 |
| Compound Name: | 5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3c(C)c4ccccc4o3)n2)S1)=O)\c1ccc(c(c1)OC)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.3663 |
| logD: | 6.3663 |
| logSw: | -5.689 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.857 |
| InChI Key: | BNSSHGKYEKKVOC-UHFFFAOYSA-N |