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131448-08-3 | Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-1-(2-propen-1-yl)-, ethyl ester
CAS No: 131448-08-3 Catalog No: AG000W7F MDL No:
Product Description
Catalog Number:
AG000W7F
Chemical Name:
Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-1-(2-propen-1-yl)-, ethyl ester
CAS Number:
131448-08-3
Molecular Formula:
C20H19N3O4
Molecular Weight:
365.3826
IUPAC Name:
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C20H19N3O4/c1-4-11-22-17-16(15(12-13(3)21-17)19(25)27-5-2)18(24)23(20(22)26)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3
InChI Key:
ONGXGLWMPLMVKG-UHFFFAOYSA-N
SMILES:
C=CCn1c2nc(C)cc(c2c(=O)n(c1=O)c1ccccc1)C(=O)OCC
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.138g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.389g/mol
Monoisotopic Mass:
365.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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