4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate

Chemical Structure Depiction of
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Available: 78 mg
Amount:
mg
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Compound characteristics

Compound ID: 6937-0232
Compound Name: 4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Molecular Weight: 428.31
Molecular Formula: C19 H14 Br N3 O2 S
Smiles: C(C#CCSc1ncnn1c1ccccc1)OC(c1ccc(cc1)[Br])=O
Stereo: ACHIRAL
logP: 5.2178
logD: 5.2178
logSw: -5.5326
Hydrogen bond acceptors count: 6
Polar surface area: 46.46
InChI Key: TYAHNEUZPZALKJ-UHFFFAOYSA-N
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