4-({3-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-fluoropyrrolidin-1-yl}methyl)benzoic acid
AlkaPlorer ID: AK102756
Synonym: None
IUPAC Name: 4-[[(3S,4R)-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methoxy]-4-fluoropyrrolidin-1-yl]methyl]benzoic acid
Structure
SMILES: CC1=CC2=C(C=C1C)NC(CO[C@H]1CN(CC3=CC=C(C(=O)O)C=C3)C[C@H]1F)=N2
InChI: InChI=1S/C22H24FN3O3/c1-13-7-18-19(8-14(13)2)25-21(24-18)12-29-20-11-26(10-17(20)23)9-15-3-5-16(6-4-15)22(27)28/h3-8,17,20H,9-12H2,1-2H3,(H,24,25)(H,27,28)/t17-,20+/m1/s1
InChIKey: KVAAPTLTWRRLLM-XLIONFOSSA-N
Source
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Properties Information
Molecule Weight: 397.4500000000001
TPSA？: 78.45
MolLogP？: 3.617040000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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