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1025007-55-9 | 3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-thiazol-4-yl)methanone
CAS No: 1025007-55-9 Catalog No: AG01DGZC MDL No:
Product Description
Catalog Number:
AG01DGZC
Chemical Name:
3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-thiazol-4-yl)methanone
CAS Number:
1025007-55-9
Molecular Formula:
C11H15N3OS
Molecular Weight:
237.3213
IUPAC Name:
3,7-diazabicyclo[3.3.1]nonan-3-yl(1,3-thiazol-4-yl)methanone
InChI:
InChI=1S/C11H15N3OS/c15-11(10-6-16-7-13-10)14-4-8-1-9(5-14)3-12-2-8/h6-9,12H,1-5H2
InChI Key:
GQLVKISITIZPMN-UHFFFAOYSA-N
SMILES:
O=C(c1cscn1)N1CC2CNCC(C1)C2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.321g/mol
Monoisotopic Mass:
237.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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