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Home > Other Heterocycles > 1384424-46-7
1384424-46-7 | 7-benzyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3,9-trione
CAS No: 1384424-46-7 Catalog No: AG019U5I MDL No:MFCD00795103
Product Description
Catalog Number:
AG019U5I
Chemical Name:
7-benzyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3,9-trione
CAS Number:
1384424-46-7
Molecular Formula:
C14H17NO3S
Molecular Weight:
279.3547
MDL Number:
MFCD00795103
IUPAC Name:
7-benzyl-3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C14H17NO3S/c16-14-12-7-15(6-11-4-2-1-3-5-11)8-13(14)10-19(17,18)9-12/h1-5,12-13H,6-10H2
InChI Key:
OSROZVNMOPPSPF-UHFFFAOYSA-N
SMILES:
O=C1C2CN(CC1CS(=O)(=O)C2)Cc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.354g/mol
Monoisotopic Mass:
279.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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