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174227-14-6 | BenzenesulfonaMide, N-[1,6-dihydro-5-(2-Methoxyphenoxy)-6-oxo[2,2'-bipyriMidin]-4-yl]-4-(1,1-diMethylethyl)-
CAS No: 174227-14-6 Catalog No: AG00ABIZ MDL No:MFCD25977341
Product Description
Catalog Number:
AG00ABIZ
Chemical Name:
BenzenesulfonaMide, N-[1,6-dihydro-5-(2-Methoxyphenoxy)-6-oxo[2,2'-bipyriMidin]-4-yl]-4-(1,1-diMethylethyl)-
CAS Number:
174227-14-6
Molecular Formula:
C25H25N5O5S
Molecular Weight:
507.5615
MDL Number:
MFCD25977341
IUPAC Name:
4-tert-butyl-N-[5-(2-methoxyphenoxy)-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-4-yl]benzenesulfonamide
InChI:
InChI=1S/C25H25N5O5S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)30-21-20(35-19-9-6-5-8-18(19)34-4)24(31)29-23(28-21)22-26-14-7-15-27-22/h5-15H,1-4H3,(H2,28,29,30,31)
InChI Key:
REEANFGHAAWSIZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1c(O)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1
Properties
Complexity:
954
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.158g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
507.565g/mol
Monoisotopic Mass:
507.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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