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Home > Other Heterocycles > 880450-05-5
880450-05-5 | 4-(4-methoxyphenyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 880450-05-5 Catalog No: AG019YIQ MDL No:MFCD08143362
Product Description
Catalog Number:
AG019YIQ
Chemical Name:
4-(4-methoxyphenyl)-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
880450-05-5
Molecular Formula:
C13H15NO4S2
Molecular Weight:
313.3925
MDL Number:
MFCD08143362
IUPAC Name:
4-(4-methoxyphenyl)-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H15NO4S2/c1-18-11-4-2-10(3-5-11)14-12(15)8-19-13(14)6-7-20(16,17)9-13/h2-5H,6-9H2,1H3
InChI Key:
DBIDUCUZDRKEKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=O)CSC21CCS(=O)(=O)C2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.386g/mol
Monoisotopic Mass:
313.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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