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76360-75-3 | Ethyl 5-hydroxy-7-oxo-2,8-diphenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS No: 76360-75-3 Catalog No: AG0055KK MDL No:MFCD17011960
Product Description
Catalog Number:
AG0055KK
Chemical Name:
Ethyl 5-hydroxy-7-oxo-2,8-diphenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS Number:
76360-75-3
Molecular Formula:
C22H17N3O4
Molecular Weight:
387.3881
MDL Number:
MFCD17011960
IUPAC Name:
ethyl 5-hydroxy-7-oxo-2,8-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C22H17N3O4/c1-2-29-22(28)17-18(26)16-13-23-19(14-9-5-3-6-10-14)24-20(16)25(21(17)27)15-11-7-4-8-12-15/h3-13,26H,2H2,1H3
InChI Key:
AWVZOUBPHJFHCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)c2cnc(nc2n(c1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.395g/mol
Monoisotopic Mass:
387.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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