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1097263-60-9

1097263-60-9 | BenzenesulfonaMide, N,N'-[1,2-ethanediylbis[oxy[5-(2-Methoxyphenoxy)[2,2'-bipyriMidine]-6,4-diyl]]]bis[4-(1,1-diMethylethyl)-

CAS No: 1097263-60-9 Catalog No: AG008TEA MDL No:MFCD25977342

Product Description

Catalog Number:
AG008TEA
Chemical Name:
BenzenesulfonaMide, N,N'-[1,2-ethanediylbis[oxy[5-(2-Methoxyphenoxy)[2,2'-bipyriMidine]-6,4-diyl]]]bis[4-(1,1-diMethylethyl)-
CAS Number:
1097263-60-9
Molecular Formula:
C52H52N10O10S2
Molecular Weight:
1041.1603
MDL Number:
MFCD25977342
IUPAC Name:
4-tert-butyl-N-[6-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
InChI:
InChI=1S/C52H52N10O10S2/c1-51(2,3)33-19-23-35(24-20-33)73(63,64)61-43-41(71-39-17-11-9-15-37(39)67-7)49(59-47(57-43)45-53-27-13-28-54-45)69-31-32-70-50-42(72-40-18-12-10-16-38(40)68-8)44(58-48(60-50)46-55-29-14-30-56-46)62-74(65,66)36-25-21-34(22-26-36)52(4,5)6/h9-30H,31-32H2,1-8H3,(H,57,59,61)(H,58,60,62)
InChI Key:
WJWCTRNSPLUHTB-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1c(OCCOc2nc(nc(c2Oc2ccccc2OC)NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c2ncccn2)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1

Properties

Complexity:
1780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1040.331g/mol
Formal Charge:
0
Heavy Atom Count:
74  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1041.168g/mol
Monoisotopic Mass:
1040.331g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8  

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