2-[1-(3,3-dimethylbutanoyl)-3-[(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl]acetic acid
AlkaPlorer ID: AK054097
Synonym: None
IUPAC Name: 2-[(3R,4S)-1-(3,3-dimethylbutanoyl)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
Structure
SMILES: CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=C(F)C=C3N2)C1
InChI: InChI=1S/C21H28FN3O3/c1-21(2,3)11-19(26)25-7-6-13(9-20(27)28)14(12-25)8-18-23-16-5-4-15(22)10-17(16)24-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,23,24)(H,27,28)/t13-,14-/m0/s1
InChIKey: GSIMZBSQODFSPZ-KBPBESRZSA-N
Source
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Properties Information
Molecule Weight: 389.47100000000006
TPSA？: 86.28999999999999
MolLogP？: 3.6201000000000016
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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