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832738-78-0 | Pyrido[2,3-d]pyrimidin-4(3H)-one, 3-[(2-fluorophenyl)methyl]-2-phenyl-
CAS No: 832738-78-0 Catalog No: AG004T35 MDL No:
Product Description
Catalog Number:
AG004T35
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(3H)-one, 3-[(2-fluorophenyl)methyl]-2-phenyl-
CAS Number:
832738-78-0
Molecular Formula:
C20H14FN3O
Molecular Weight:
331.3431
IUPAC Name:
3-[(2-fluorophenyl)methyl]-2-phenylpyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C20H14FN3O/c21-17-11-5-4-9-15(17)13-24-19(14-7-2-1-3-8-14)23-18-16(20(24)25)10-6-12-22-18/h1-12H,13H2
InChI Key:
OCXSYUZCCFYDSQ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1Cn1c(nc2c(c1=O)cccn2)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.112g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.35g/mol
Monoisotopic Mass:
331.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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