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Home > Other Heterocycles > 1272755-84-6
1272755-84-6 | 5,8-Diazaspiro[3.4]octan-6-one, 7-[4-(methylsulfonyl)phenyl]-
CAS No: 1272755-84-6 Catalog No: AG000WUH MDL No:MFCD18651753
Product Description
Catalog Number:
AG000WUH
Chemical Name:
5,8-Diazaspiro[3.4]octan-6-one, 7-[4-(methylsulfonyl)phenyl]-
CAS Number:
1272755-84-6
Molecular Formula:
C13H16N2O3S
Molecular Weight:
280.3427
MDL Number:
MFCD18651753
IUPAC Name:
6-(4-methylsulfonylphenyl)-5,8-diazaspiro[3.4]octan-7-one
InChI:
InChI=1S/C13H16N2O3S/c1-19(17,18)10-5-3-9(4-6-10)11-12(16)15-13(14-11)7-2-8-13/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)
InChI Key:
BDJDUCAFAPCVQV-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccc(cc1)S(=O)(=O)C)CCC2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.342g/mol
Monoisotopic Mass:
280.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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