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138314-04-2 | 1H-Purine-2,6-dione, 3,9-dihydro-8-(1-methylcyclohexyl)-1,3-dipropyl-
CAS No: 138314-04-2 Catalog No: AG0018J5 MDL No:
Product Description
Catalog Number:
AG0018J5
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-(1-methylcyclohexyl)-1,3-dipropyl-
CAS Number:
138314-04-2
Molecular Formula:
C18H28N4O2
Molecular Weight:
332.4405
IUPAC Name:
8-(1-methylcyclohexyl)-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C18H28N4O2/c1-4-11-21-14-13(15(23)22(12-5-2)17(21)24)19-16(20-14)18(3)9-7-6-8-10-18/h4-12H2,1-3H3,(H,19,20)
InChI Key:
CUXSMKPMZIZSFX-UHFFFAOYSA-N
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)C1(C)CCCCC1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.448g/mol
Monoisotopic Mass:
332.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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