3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

Chemical Structure Depiction of
3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Available: 16 mg
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mg
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Compound characteristics

Compound ID: 8018-0653
Compound Name: 3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Molecular Weight: 480.47
Molecular Formula: C25 H26 Br N3 S
Smiles: C1C2CC3CC1CC(C2)(C3)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Br]
Stereo: ACHIRAL
logP: 7.2539
logD: 7.2538
logSw: -6.3479
Hydrogen bond acceptors count: 3
Polar surface area: 24.7458
InChI Key: VCRIIPSMHNHVLL-UHFFFAOYSA-N
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