2-(4-bromophenyl)-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-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-(4-bromophenyl)-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Available: 137 mg
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mg
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Compound characteristics

Compound ID: 4341-3225
Compound Name: 2-(4-bromophenyl)-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Molecular Weight: 596.51
Molecular Formula: C30 H22 Br N5 O2 S
Smiles: Cc1cc(ccc1OCC=C)c1c(/C=C2/C(n3c(nc(c4ccc(cc4)[Br])n3)S2)=O)cn(c2ccccc2)n1
Stereo: ACHIRAL
logP: 7.9047
logD: 7.9047
logSw: -5.7371
Hydrogen bond acceptors count: 7
Polar surface area: 59.333
InChI Key: YPNXJDGXQGSJFI-UHFFFAOYSA-N
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