3-(3-acetylphenyl)-1-({5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl}methyl)urea
AlkaPlorer ID: AK165456
Synonym: None
IUPAC Name: 1-(3-acetylphenyl)-3-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
Structure
SMILES: CC(=O)C1=CC=CC(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C2=CC(C3=CC=C(F)C=C3)=NC(C)=N2)=C1
InChI: InChI=1S/C28H30FN5O2/c1-17(35)20-4-3-5-23(12-20)33-28(36)30-15-24-13-21-10-11-34(24)16-25(21)27-14-26(31-18(2)32-27)19-6-8-22(29)9-7-19/h3-9,12,14,21,24-25H,10-11,13,15-16H2,1-2H3,(H2,30,33,36)/t21-,24+,25-/m0/s1
InChIKey: OYSDBRUWPJSDMS-GPUOULLFSA-N
Source
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Properties Information
Molecule Weight: 487.5790000000002
TPSA？: 87.22000000000001
MolLogP？: 4.793220000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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