2-{1-hexanoyl-3-[(7-methoxy-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}acetic acid
AlkaPlorer ID: AK064506
Synonym: None
IUPAC Name: 2-[(3R,4S)-1-hexanoyl-3-[(4-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
Structure
SMILES: CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=CC(OC)=C3N2)C1
InChI: InChI=1S/C22H31N3O4/c1-3-4-5-9-20(26)25-11-10-15(13-21(27)28)16(14-25)12-19-23-17-7-6-8-18(29-2)22(17)24-19/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,23,24)(H,27,28)/t15-,16-/m0/s1
InChIKey: URAJYIVJUZVLRA-HOTGVXAUSA-N
Source
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Properties Information
Molecule Weight: 401.5070000000001
TPSA？: 95.52
MolLogP？: 3.633700000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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