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Home > Other Heterocycles > 117309-98-5
117309-98-5 | 1-Azaspiro[5.5]undecan-2-one, 1-(phenylmethyl)-5-(phenylsulfonyl)-
CAS No: 117309-98-5 Catalog No: AG000E4K MDL No:
Product Description
Catalog Number:
AG000E4K
Chemical Name:
1-Azaspiro[5.5]undecan-2-one, 1-(phenylmethyl)-5-(phenylsulfonyl)-
CAS Number:
117309-98-5
Molecular Formula:
C23H27NO3S
Molecular Weight:
397.5304
IUPAC Name:
5-(benzenesulfonyl)-1-benzyl-1-azaspiro[5.5]undecan-2-one
InChI:
InChI=1S/C23H27NO3S/c25-22-15-14-21(28(26,27)20-12-6-2-7-13-20)23(16-8-3-9-17-23)24(22)18-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChI Key:
KYLCENDPRLLMOJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(C2(N1Cc1ccccc1)CCCCC2)S(=O)(=O)c1ccccc1
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.171g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.533g/mol
Monoisotopic Mass:
397.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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