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166530-85-4 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-methyl-5-phenyl-
CAS No: 166530-85-4 Catalog No: AG001WTK MDL No:
Product Description
Catalog Number:
AG001WTK
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-methyl-5-phenyl-
CAS Number:
166530-85-4
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
7-methyl-5-phenyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C14H11N3O2/c1-8-7-10(9-5-3-2-4-6-9)11-12(15-8)16-14(19)17-13(11)18/h2-7H,1H3,(H2,15,16,17,18,19)
InChI Key:
FOENGABAEHHDCZ-UHFFFAOYSA-N
SMILES:
Cc1nc2[nH]c(=O)[nH]c(=O)c2c(c1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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