5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 5629-2438 |
Compound Name: | 5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 509.61 |
Molecular Formula: | C27 H19 N5 O2 S2 |
Smiles: | [H]C(=C1/C(n2c(nc(c3cccs3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.9668 |
logD: | 5.9668 |
logSw: | -5.5086 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.249 |
InChI Key: | VFYKNKKBNPZXTI-MRXNPFEDSA-N |