2-[({4-fluoro-1-[(4-methanesulfonylphenyl)methyl]pyrrolidin-3-yl}oxy)methyl]-1H-1,3-benzodiazole
AlkaPlorer ID: AK104482
Synonym: None
IUPAC Name: 2-[[(3S,4R)-4-fluoro-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
Structure
SMILES: CS(=O)(=O)C1=CC=C(CN2C[C@@H](F)[C@@H](OCC3=NC4=CC=CC=C4N3)C2)C=C1
InChI: InChI=1S/C20H22FN3O3S/c1-28(25,26)15-8-6-14(7-9-15)10-24-11-16(21)19(12-24)27-13-20-22-17-4-2-3-5-18(17)23-20/h2-9,16,19H,10-13H2,1H3,(H,22,23)/t16-,19+/m1/s1
InChIKey: NNQDDWBEGAMPGF-APWZRJJASA-N
Source
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Properties Information
Molecule Weight: 403.4790000000001
TPSA？: 75.28999999999999
MolLogP？: 2.7055000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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