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89787-37-1 | Benzoic acid, 4-[bis(3-oxo-3-phenylpropyl)amino]-, methyl ester
CAS No: 89787-37-1 Catalog No: AG003YH9 MDL No:
Product Description
Catalog Number:
AG003YH9
Chemical Name:
Benzoic acid, 4-[bis(3-oxo-3-phenylpropyl)amino]-, methyl ester
CAS Number:
89787-37-1
Molecular Formula:
C26H25NO4
Molecular Weight:
415.4810
IUPAC Name:
methyl 4-[bis(3-oxo-3-phenylpropyl)amino]benzoate
InChI:
InChI=1S/C26H25NO4/c1-31-26(30)22-12-14-23(15-13-22)27(18-16-24(28)20-8-4-2-5-9-20)19-17-25(29)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3
InChI Key:
FYWMGAQOBVCWAC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)N(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.489g/mol
Monoisotopic Mass:
415.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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