5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 6187-2301 |
Compound Name: | 5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 535.58 |
Molecular Formula: | C29 H21 N5 O4 S |
Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(c1)OCCO2 |
Stereo: | ACHIRAL |
logP: | 4.4349 |
logD: | 4.4349 |
logSw: | -4.4421 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 75.282 |
InChI Key: | JCECEWIDSPWSNI-UHFFFAOYSA-N |