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85432-39-9 | 2,4(3H,5H)-Pyrimidinedione,5-ethyl-6-(1-methylethoxy)-5-phenyl-
CAS No: 85432-39-9 Catalog No: AG004JXZ MDL No:
Product Description
Catalog Number:
AG004JXZ
Chemical Name:
2,4(3H,5H)-Pyrimidinedione,5-ethyl-6-(1-methylethoxy)-5-phenyl-
CAS Number:
85432-39-9
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
InChI:
InChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(19)17-13(15)20-10(2)3/h5-10H,4H2,1-3H3,(H,16,18,19)
InChI Key:
CCEXTQVHYYYTOI-UHFFFAOYSA-N
SMILES:
CCC1(C(=O)NC(=O)N=C1OC(C)C)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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