1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Available: 174 mg
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mg
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Compound characteristics

Compound ID: C592-3014
Compound Name: 1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Molecular Weight: 477.55
Molecular Formula: C23 H26 F3 N5 O S
Smiles: Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCCCCC1)=O
Stereo: ACHIRAL
logP: 4.4202
logD: 4.4192
logSw: -4.3599
Hydrogen bond acceptors count: 5
Polar surface area: 45.31
InChI Key: BKSFMHLMQDLARU-UHFFFAOYSA-N
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