1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Available: 67 mg
Amount:
mg
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Compound characteristics

Compound ID: D419-0024
Compound Name: 1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Molecular Weight: 392.52
Molecular Formula: C22 H24 N4 O S
Smiles: C1CCCN(CC1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O
Stereo: ACHIRAL
logP: 4.3197
logD: 4.3197
logSw: -4.1801
Hydrogen bond acceptors count: 5
Polar surface area: 41.436
InChI Key: AJIQGJHNNREHCA-UHFFFAOYSA-N
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