1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one

Chemical Structure Depiction of
1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one
Available: 67 mg
Amount:
mg
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Compound characteristics

Compound ID: T001-1561
Compound Name: 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one
Molecular Weight: 291.39
Molecular Formula: C16 H25 N3 O2
Smiles: CC#CC(N1CCN(CC1)CC(N1CCCCCC1)=O)=O
Stereo: ACHIRAL
logP: 0.9963
logD: 0.9958
logSw: -0.8393
Hydrogen bond acceptors count: 5
Polar surface area: 36.895
InChI Key: JFMHVHFTNVRPGB-UHFFFAOYSA-N
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