2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Available: 60 mg
Amount:
mg
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Compound characteristics

Compound ID: S336-0323
Compound Name: 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Molecular Weight: 373.43
Molecular Formula: C19 H24 F N5 O2
Smiles: C1CCC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2CC1)=O
Stereo: ACHIRAL
logP: 1.9792
logD: 1.9792
logSw: -2.3267
Hydrogen bond acceptors count: 5
Polar surface area: 53.169
InChI Key: RSFOLBLBCHNTHI-UHFFFAOYSA-N
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