6-{[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-phenyl-1-azabicyclo[2.2.2]octane-3-carboxamide
AlkaPlorer ID: AK106643
Synonym: None
IUPAC Name: (3R,4S,6R)-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-N-phenyl-1-azabicyclo[2.2.2]octane-3-carboxamide
Structure
SMILES: O=C(NC1=CC=CC=C1)[C@H]1CN2CC[C@H]1C[C@@H]2CN1C=C(COC2=CC=CC=C2)N=N1
InChI: InChI=1S/C24H27N5O2/c30-24(25-19-7-3-1-4-8-19)23-16-28-12-11-18(23)13-21(28)15-29-14-20(26-27-29)17-31-22-9-5-2-6-10-22/h1-10,14,18,21,23H,11-13,15-17H2,(H,25,30)/t18-,21+,23-/m0/s1
InChIKey: PNVBBIITXLYMQC-ZEYPLWLESA-N
Source
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Properties Information
Molecule Weight: 417.5130000000001
TPSA？: 72.28
MolLogP？: 3.2062000000000017
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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