Dalcetrapib
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
Molecular Identity
Dalcetrapib
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
PubChem CID: 6918540
2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide.
2D Structure
Properties
C23H35NO2S
Molecular Formula
389.60
Molecular Weight
g/mol
389.2389
Exact Mass
Da
7.1
XLogP
Above Lipinski threshold
71.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
481
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dalcetrapib211513-37-0JTT-705RO-4607381JTT705RO4607381S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate3D050LIQ3HDTXSID70943475dalcetrapibumS-(2-((1-(2-ethylbutyl)cyclohexanecarbonyl)amino)phenyl) 2-methylpropanethioateRefChem:585156DTXCID301371841S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioateR1658
Data from PubChem (NCBI)
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