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Home > Other Heterocycles > 1955556-66-7
1955556-66-7 | 3-[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYD+
CAS No: 1955556-66-7 Catalog No: AG01AT12 MDL No:MFCD26793131
Product Description
Catalog Number:
AG01AT12
Chemical Name:
3-[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYD+
CAS Number:
1955556-66-7
Molecular Formula:
C15H18ClN3OS
Molecular Weight:
323.8409
MDL Number:
MFCD26793131
IUPAC Name:
2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-5-phenyl-1,3,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C15H17N3OS.ClH/c1-2-4-10(5-3-1)14-17-18-15(19-14)20-13-8-11-6-7-12(9-13)16-11;/h1-5,11-13,16H,6-9H2;1H
InChI Key:
FQSGLNXYKJHDNV-UHFFFAOYSA-N
SMILES:
C1CC2NC1CC(C2)Sc1nnc(o1)c1ccccc1.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.839g/mol
Monoisotopic Mass:
323.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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