3-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}methyl)-1-[3-(methylsulfanyl)phenyl]urea
AlkaPlorer ID: AK162139
Synonym: None
IUPAC Name: 1-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea
Structure
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC1=CC(SC)=CC=C1
InChI: InChI=1S/C18H25N3OS/c1-3-13-12-21-8-7-14(13)9-16(21)11-19-18(22)20-15-5-4-6-17(10-15)23-2/h3-6,10,13-14,16H,1,7-9,11-12H2,2H3,(H2,19,20,22)/t13-,14-,16+/m0/s1
InChIKey: UVGODZFGOFTLTJ-OFQRWUPVSA-N
Reference
Unusual Fernane and Gammacerane Glycosides from the Aerial Parts of <i>Spergula fallax</i>
PubChem CID: 11943105
Source
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Properties Information
Molecule Weight: 331.485
TPSA？: 44.370000000000005
MolLogP？: 3.426400000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
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