2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 5629-2309 |
Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 549.61 |
Molecular Formula: | C30 H23 N5 O4 S |
Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(C)c1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8068 |
logD: | 5.8068 |
logSw: | -5.5646 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 74.896 |
InChI Key: | XZYFCTGJBHDMFW-VWLOTQADSA-N |