1-{4-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one

Chemical Structure Depiction of
1-{4-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Available: 1 mg
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mg
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Compound characteristics

Compound ID: S905-0223
Compound Name: 1-{4-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Molecular Weight: 417.53
Molecular Formula: C20 H27 N5 O3 S
Smiles: CC(N1CCC(CC1)c1nnc2CCN(CCn12)S(Cc1ccccc1)(=O)=O)=O
Stereo: ACHIRAL
logP: 0.6692
logD: 0.6682
logSw: -1.9219
Hydrogen bond acceptors count: 9
Polar surface area: 74.063
InChI Key: BFLYBOXDEJRQFZ-UHFFFAOYSA-N
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