Home Other Building Blocks 2,2'-(4,4'-(4,4'-Methylenebis(4,1-phenylene)bis(azanediyl))bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-methylpropanoic acid)

2,2'-(4,4'-(4,4'-Methylenebis(4,1-phenylene)bis(azanediyl))bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-methylpropanoic acid)

CAS No.:
1415560-60-9
Catalog Number:
AG01D8TC
Molecular Formula:
C35H36N4O8
Molecular Weight:
640.6823
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Product Description
Catalog Number:
AG01D8TC
Chemical Name:
2,2'-(4,4'-(4,4'-Methylenebis(4,1-phenylene)bis(azanediyl))bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-methylpropanoic acid)
CAS Number:
1415560-60-9
Molecular Formula:
C35H36N4O8
Molecular Weight:
640.6823
MDL Number:
MFCD18782774
IUPAC Name:
2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]phenyl]methyl]phenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid
InChI:
InChI=1S/C35H36N4O8/c1-34(2,30(40)41)46-28-17-13-26(14-18-28)38-32(44)36-24-9-5-22(6-10-24)21-23-7-11-25(12-8-23)37-33(45)39-27-15-19-29(20-16-27)47-35(3,4)31(42)43/h5-20H,21H2,1-4H3,(H,40,41)(H,42,43)(H2,36,38,44)(H2,37,39,45)
InChI Key:
XBZKWCAOPCLPEG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)OC(C(=O)O)(C)C)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC(C(=O)O)(C)C
Properties
Complexity:
970  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.253g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
640.693g/mol
Monoisotopic Mass:
640.253g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties