2-[1-(2-ethylbutanoyl)-3-[(6-methoxy-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl]acetic acid
AlkaPlorer ID: AK380788
Synonym: None
IUPAC Name: 2-[1-(2-ethylbutanoyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
Structure
SMILES: CCC(CC)C(=O)N1CCC(CC(=O)O)C(CC2=NC3=CC=C(OC)C=C3N2)C1
InChI: InChI=1S/C22H31N3O4/c1-4-14(5-2)22(28)25-9-8-15(11-21(26)27)16(13-25)10-20-23-18-7-6-17(29-3)12-19(18)24-20/h6-7,12,14-16H,4-5,8-11,13H2,1-3H3,(H,23,24)(H,26,27)
InChIKey: FQXFINZCJDJWBI-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 401.5070000000001
TPSA？: 95.52
MolLogP？: 3.489600000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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