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88012-04-8 | Propanoic acid, 3-oxo-3-[(phenyl-3-pyridinylacetyl)amino]-, ethyl ester
CAS No: 88012-04-8 Catalog No: AG004GOX MDL No:
Product Description
Catalog Number:
AG004GOX
Chemical Name:
Propanoic acid, 3-oxo-3-[(phenyl-3-pyridinylacetyl)amino]-, ethyl ester
CAS Number:
88012-04-8
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
ethyl 3-oxo-3-[(2-phenyl-2-pyridin-3-ylacetyl)amino]propanoate
InChI:
InChI=1S/C18H18N2O4/c1-2-24-16(22)11-15(21)20-18(23)17(13-7-4-3-5-8-13)14-9-6-10-19-12-14/h3-10,12,17H,2,11H2,1H3,(H,20,21,23)
InChI Key:
OAXMVLVZEWOKDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)NC(=O)C(c1cccnc1)c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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