rel-(9aR,11R,12aS)-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~11~-[(3-fluorophenyl)methyl]-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide

Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~11~-[(3-fluorophenyl)methyl]-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: S731-1198
Compound Name: rel-(9aR,11R,12aS)-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~11~-[(3-fluorophenyl)methyl]-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide
Molecular Weight: 538.62
Molecular Formula: C29 H35 F N4 O5
Smiles: C1CCCN(C(Nc2ccc3c(c2)OCCO3)=O)[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)C(NCc1cccc(c1)F)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.1838
logD: 2.1838
logSw: -2.8381
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 3
Polar surface area: 90.931
InChI Key: GNQLFWQKRGERLT-FGCOXFRFSA-N
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