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178061-59-1 | Benzo[g]pteridine-2,4(3H,10H)-dione, 10-dodecyl-7,8-dimethyl-
CAS No: 178061-59-1 Catalog No: AG0025Q9 MDL No:
Product Description
Catalog Number:
AG0025Q9
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 10-dodecyl-7,8-dimethyl-
CAS Number:
178061-59-1
Molecular Formula:
C24H34N4O2
Molecular Weight:
410.5524
IUPAC Name:
10-dodecyl-7,8-dimethylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C24H34N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-28-20-16-18(3)17(2)15-19(20)25-21-22(28)26-24(30)27-23(21)29/h15-16H,4-14H2,1-3H3,(H,27,29,30)
InChI Key:
KDFCJZSEYXHKPJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.268g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.562g/mol
Monoisotopic Mass:
410.268g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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