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Home > Other Heterocycles > 1823465-42-4
1823465-42-4 | 7-benzyl-9-hydroxy-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS No: 1823465-42-4 Catalog No: AG01B4FX MDL No:MFCD30180696
Product Description
Catalog Number:
AG01B4FX
Chemical Name:
7-benzyl-9-hydroxy-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CAS Number:
1823465-42-4
Molecular Formula:
C15H21NO3S
Molecular Weight:
295.3971
MDL Number:
MFCD30180696
IUPAC Name:
7-benzyl-9-methyl-3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-ol
InChI:
InChI=1S/C15H21NO3S/c1-15(17)13-8-16(7-12-5-3-2-4-6-12)9-14(15)11-20(18,19)10-13/h2-6,13-14,17H,7-11H2,1H3
InChI Key:
NNLPUKDCHXEJSD-UHFFFAOYSA-N
SMILES:
CC1(O)C2CN(CC1CS(=O)(=O)C2)Cc1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.397g/mol
Monoisotopic Mass:
295.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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