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Home > Other Heterocycles > 1272755-86-8
1272755-86-8 | 1,4-Diazaspiro[4.4]nonan-2-one, 3-[4-(methylsulfonyl)phenyl]-
CAS No: 1272755-86-8 Catalog No: AG000WUF MDL No:MFCD18651743
Product Description
Catalog Number:
AG000WUF
Chemical Name:
1,4-Diazaspiro[4.4]nonan-2-one, 3-[4-(methylsulfonyl)phenyl]-
CAS Number:
1272755-86-8
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
MDL Number:
MFCD18651743
IUPAC Name:
2-(4-methylsulfonylphenyl)-1,4-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C14H18N2O3S/c1-20(18,19)11-6-4-10(5-7-11)12-13(17)16-14(15-12)8-2-3-9-14/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,17)
InChI Key:
GZAVROHDOLBYBB-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC1c1ccc(cc1)S(=O)(=O)C)CCCC2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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