3-{[5-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl}-1-phenylurea
AlkaPlorer ID: AK234204
Synonym: None
IUPAC Name: 1-[[(2S,4S,5R)-5-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-phenylurea
Structure
SMILES: O=C(NC[C@@H]1C[C@@H]2CCN1C[C@@H]2CO)NC1=CC=CC=C1
InChI: InChI=1S/C16H23N3O2/c20-11-13-10-19-7-6-12(13)8-15(19)9-17-16(21)18-14-4-2-1-3-5-14/h1-5,12-13,15,20H,6-11H2,(H2,17,18,21)/t12-,13+,15-/m0/s1
InChIKey: GDCXHVRRWUMBJW-GUTXKFCHSA-N
Source
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Properties Information
Molecule Weight: 289.379
TPSA？: 64.60000000000001
MolLogP？: 1.510799999999999
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 4
Activities Information
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