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646057-00-3 | Spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine], 1'-(5-isothiazolyl)-
CAS No: 646057-00-3 Catalog No: AG006SPK MDL No:
Product Description
Catalog Number:
AG006SPK
Chemical Name:
Spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine], 1'-(5-isothiazolyl)-
CAS Number:
646057-00-3
Molecular Formula:
C13H19N3S
Molecular Weight:
249.3751
IUPAC Name:
5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-thiazole
InChI:
InChI=1S/C13H19N3S/c1-5-14-17-12(1)15-8-4-13(10-15)9-11-2-6-16(13)7-3-11/h1,5,11H,2-4,6-10H2
InChI Key:
HKJPPDZNQYMSCE-UHFFFAOYSA-N
SMILES:
c1nsc(c1)N1CCC2(C1)CC1CCN2CC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.376g/mol
Monoisotopic Mass:
249.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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