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80809-50-3 | 1H-Imidazole-2-acetic acid, 1-(acetylamino)-4-phenyl-, ethyl ester
CAS No: 80809-50-3 Catalog No: AG005J0Y MDL No:
Product Description
Catalog Number:
AG005J0Y
Chemical Name:
1H-Imidazole-2-acetic acid, 1-(acetylamino)-4-phenyl-, ethyl ester
CAS Number:
80809-50-3
Molecular Formula:
C15H17N3O3
Molecular Weight:
287.3138
IUPAC Name:
ethyl 2-(1-acetamido-4-phenylimidazol-2-yl)acetate
InChI:
InChI=1S/C15H17N3O3/c1-3-21-15(20)9-14-16-13(10-18(14)17-11(2)19)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,17,19)
InChI Key:
JTHHFBMHDHVZOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc(cn1NC(=O)C)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.319g/mol
Monoisotopic Mass:
287.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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