Home Carbonyls Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester

Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester

CAS No.:
135321-85-6
Catalog Number:
AG009CH4
Molecular Formula:
C24H34N2O8
Molecular Weight:
478.5354
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Product Description
Catalog Number:
AG009CH4
Chemical Name:
Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester
CAS Number:
135321-85-6
Molecular Formula:
C24H34N2O8
Molecular Weight:
478.5354
MDL Number:
MFCD28952905
IUPAC Name:
methyl 4-[(E)-N,N,N'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoate
InChI:
InChI=1S/C24H34N2O8/c1-22(2,3)32-19(28)25-17(15-11-13-16(14-12-15)18(27)31-10)26(20(29)33-23(4,5)6)21(30)34-24(7,8)9/h11-14H,1-10H3/b25-17+
InChI Key:
CPJLYWDEHRILQP-KOEQRZSOSA-N
SMILES:
COC(=O)c1ccc(cc1)/C(=N\C(=O)OC(C)(C)C)/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
763  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
478.232g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.542g/mol
Monoisotopic Mass:
478.232g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties