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147821-52-1 | Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-(4-methylphenyl)-5-oxo-, ethyl ester
CAS No: 147821-52-1 Catalog No: AG001F8J MDL No:
Product Description
Catalog Number:
AG001F8J
Chemical Name:
Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-(4-methylphenyl)-5-oxo-, ethyl ester
CAS Number:
147821-52-1
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
IUPAC Name:
ethyl 1-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C16H17N3O3/c1-3-22-15(21)13-10-17-16-18(8-9-19(16)14(13)20)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChI Key:
BKXZWKZOGMNGIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1=O)CCN2c1ccc(cc1)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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