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13300-13-5 | 2,4(3H,8H)-Pteridinedione, 8-(2-hydroxyethyl)-3-methyl-6,7-diphenyl-
CAS No: 13300-13-5 Catalog No: AG0011IW MDL No:
Product Description
Catalog Number:
AG0011IW
Chemical Name:
2,4(3H,8H)-Pteridinedione, 8-(2-hydroxyethyl)-3-methyl-6,7-diphenyl-
CAS Number:
13300-13-5
Molecular Formula:
C21H18N4O3
Molecular Weight:
374.3926
IUPAC Name:
8-(2-hydroxyethyl)-3-methyl-6,7-diphenylpteridine-2,4-dione
InChI:
InChI=1S/C21H18N4O3/c1-24-20(27)17-19(23-21(24)28)25(12-13-26)18(15-10-6-3-7-11-15)16(22-17)14-8-4-2-5-9-14/h2-11,26H,12-13H2,1H3
InChI Key:
AELTZGUQPMGONQ-UHFFFAOYSA-N
SMILES:
OCCn1c(c2ccccc2)c(nc2c1nc(=O)n(c2=O)C)c1ccccc1
NSC Number:
680992
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.4g/mol
Monoisotopic Mass:
374.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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