2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one

Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Available: 78 mg
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mg
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Compound characteristics

Compound ID: G865-0006
Compound Name: 2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Molecular Weight: 474.37
Molecular Formula: C21 H20 Br N3 O3 S
Smiles: COc1ccc(cc1)C(CSc1nnc(COc2ccc(cc2)[Br])n1CC=C)=O
Stereo: ACHIRAL
logP: 4.4029
logD: 4.4029
logSw: -4.3508
Hydrogen bond acceptors count: 7
Polar surface area: 53.485
InChI Key: ILKUDSTUGYYTDT-UHFFFAOYSA-N
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