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27507-08-0 | Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-[(4-methoxyphenyl)methyl]-
CAS No: 27507-08-0 Catalog No: AG002TYV MDL No:MFCD09743075
Product Description
Catalog Number:
AG002TYV
Chemical Name:
Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-[(4-methoxyphenyl)methyl]-
CAS Number:
27507-08-0
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
MDL Number:
MFCD09743075
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C15H13N3O3/c1-21-11-6-4-10(5-7-11)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20)
InChI Key:
PEAOFLDIVZRQCS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(=O)[nH]c2c(c1=O)nccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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