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76283-90-4 | 4-(HYDROXY(OXIDO)AMINO)-4-((4-METHYLPHENYL)SULFONYL)-1,7-DIPHENYL-1,7-HEPTANEDIONE
CAS No: 76283-90-4 Catalog No: AG005EIO MDL No:
Product Description
Catalog Number:
AG005EIO
Chemical Name:
4-(HYDROXY(OXIDO)AMINO)-4-((4-METHYLPHENYL)SULFONYL)-1,7-DIPHENYL-1,7-HEPTANEDIONE
CAS Number:
76283-90-4
Molecular Formula:
C26H26NO6S-
Molecular Weight:
480.5527
IUPAC Name:
4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione
InChI:
InChI=1S/C26H25NO6S/c1-20-12-14-23(15-13-20)34(32,33)26(27(30)31,18-16-24(28)21-8-4-2-5-9-21)19-17-25(29)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChI Key:
VCXHLSGWHVDFML-UHFFFAOYSA-N
SMILES:
[O-]N(C(S(=O)(=O)c1ccc(cc1)C)(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1)O
NSC Number:
353731
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.14g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.547g/mol
Monoisotopic Mass:
479.14g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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