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160510-39-4 | Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(1-naphthalenyl)-
CAS No: 160510-39-4 Catalog No: AG001RZE MDL No:
Product Description
Catalog Number:
AG001RZE
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(1-naphthalenyl)-
CAS Number:
160510-39-4
Molecular Formula:
C21H14N4O2
Molecular Weight:
354.3615
IUPAC Name:
3-methyl-10-naphthalen-1-ylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C21H14N4O2/c1-24-20(26)18-19(23-21(24)27)25(17-11-5-4-10-15(17)22-18)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3
InChI Key:
KZTIJQTVMZTPHL-UHFFFAOYSA-N
SMILES:
O=c1nc2n(c3cccc4c3cccc4)c3ccccc3nc2c(=O)n1C
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.369g/mol
Monoisotopic Mass:
354.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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