N,N-dimethyl-6-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
AlkaPlorer ID: AK125570
Synonym: None
IUPAC Name: (3R,4R,6R)-N,N-dimethyl-6-[[4-(phenylsulfanylmethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
Structure
SMILES: CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN1C=C(CSC2=CC=CC=C2)N=N1
InChI: InChI=1S/C20H27N5OS/c1-23(2)20(26)19-13-24-9-8-15(19)10-17(24)12-25-11-16(21-22-25)14-27-18-6-4-3-5-7-18/h3-7,11,15,17,19H,8-10,12-14H2,1-2H3/t15-,17-,19+/m1/s1
InChIKey: CGBLHCLLRWCKHG-SUMDDJOVSA-N
Reference
Variation in flavonoid exudates in Eucryphia species from Australia and South America
PubChem CID: 11941727
Source
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Properties Information
Molecule Weight: 385.537
TPSA？: 54.260000000000005
MolLogP？: 2.3690000000000007
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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