N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbutanamide

Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbutanamide
Available: 91 mg
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mg
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Compound characteristics

Compound ID: C301-9404
Compound Name: N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylbutanamide
Molecular Weight: 400.93
Molecular Formula: C20 H21 Cl N4 O S
Smiles: CC(C)CC(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O
Stereo: ACHIRAL
logP: 4.6549
logD: 4.6549
logSw: -4.7005
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 46.52
InChI Key: IFYPVLBBPLEXMQ-UHFFFAOYSA-N
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