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Home > Other Heterocycles > 879642-03-2
879642-03-2 | 4-(2-phenylethyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 879642-03-2 Catalog No: AG019YIR MDL No:MFCD08143599
Product Description
Catalog Number:
AG019YIR
Chemical Name:
4-(2-phenylethyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
879642-03-2
Molecular Formula:
C14H17NO3S2
Molecular Weight:
311.4197
MDL Number:
MFCD08143599
IUPAC Name:
7,7-dioxo-4-(2-phenylethyl)-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C14H17NO3S2/c16-13-10-19-14(7-9-20(17,18)11-14)15(13)8-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChI Key:
PBIPJUBQHDHJPW-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1CCc1ccccc1)CCS(=O)(=O)C2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.414g/mol
Monoisotopic Mass:
311.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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