Anacetrapib
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Molecular Identity
Anacetrapib
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID: 11556427
2D Structure
Properties
C30H25F10NO3
Molecular Formula
637.50
Molecular Weight
g/mol
637.1675
Exact Mass
Da
8.8
XLogP
Above Lipinski threshold
38.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
13
H-Bond Acceptors
964
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)FSynonyms(20)
Anacetrapib875446-37-0MK-0859MK0859P7T269PR6SDTXSID90236452(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-oneanacetrapibum(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl)methyl)-4-methyl-1,3-oxazolidin-2-oneRefChem:558013DTXCID90158943(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-(1,1'-biphenyl)-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-oneAnacetrapib [USAN]MFCD16294903Anacetrapib-cis
Data from PubChem (NCBI)
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