2-[({4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl}oxy)methyl]-5-(trifluoromethyl)-1H-1,3-benzodiazole
AlkaPlorer ID: AK096501
Synonym: None
IUPAC Name: 2-[[(3S,4R)-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-6-(trifluoromethyl)-1H-benzimidazole
Structure
SMILES: COC1=CC=C(CN2C[C@@H](F)[C@@H](OCC3=NC4=CC(C(F)(F)F)=CC=C4N3)C2)C=C1
InChI: InChI=1S/C21H21F4N3O2/c1-29-15-5-2-13(3-6-15)9-28-10-16(22)19(11-28)30-12-20-26-17-7-4-14(21(23,24)25)8-18(17)27-20/h2-8,16,19H,9-12H2,1H3,(H,26,27)/t16-,19+/m1/s1
InChIKey: VDHVMTAYSXIYTA-APWZRJJASA-N
Source
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Properties Information
Molecule Weight: 423.4100000000001
TPSA？: 50.38
MolLogP？: 4.329400000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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