5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 6187-1566 |
Compound Name: | 5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 506.49 |
Molecular Formula: | C24 H18 N4 O7 S |
Smiles: | [H]C(=C1/C(n2c(nc(c3cc(c(c(c3)OC)OC)OC)n2)S1)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
Stereo: | ACHIRAL |
logP: | 4.3768 |
logD: | 4.3768 |
logSw: | -4.5869 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 100.824 |
InChI Key: | JGYGEMHSJWJKHM-UHFFFAOYSA-N |