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rel-(9aR,11R,12aS)-1-[(2,4-difluorophenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one

Chemical Structure Depiction of
rel-(9aR,11R,12aS)-1-[(2,4-difluorophenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Available: 1 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: S731-1422
Compound Name: rel-(9aR,11R,12aS)-1-[(2,4-difluorophenyl)methyl]-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Molecular Weight: 525.64
Molecular Formula: C29 H37 F2 N5 O2
Smiles: C1CCCN(Cc2ccc(cc2F)F)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)C(N1CCN(CC1)c1ccccn1)=O
Stereo: RELATIVE
logP: 3.7572
logD: 2.9962
logSw: -3.88
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 57.544
InChI Key: GVHJHFPEHHFVOP-FBILRYNDSA-N
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