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101126-73-2 | 1H-Purine-2,6-dione, 3,9-dihydro-8-(4-methoxyphenyl)-1,3-dipropyl-
CAS No: 101126-73-2 Catalog No: AG0003SV MDL No:
Product Description
Catalog Number:
AG0003SV
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-(4-methoxyphenyl)-1,3-dipropyl-
CAS Number:
101126-73-2
Molecular Formula:
C18H22N4O3
Molecular Weight:
342.3923
IUPAC Name:
8-(4-methoxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
InChI Key:
JRWGEHUXXHRROS-UHFFFAOYSA-N
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OC
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.399g/mol
Monoisotopic Mass:
342.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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