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149950-60-7 | 2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-
CAS No: 149950-60-7 Catalog No: AG001M5U MDL No:
Product Description
Catalog Number:
AG001M5U
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-
CAS Number:
149950-60-7
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
InChI:
InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChI Key:
MLILORUFDVLTSP-UHFFFAOYSA-N
SMILES:
CCOCn1c(=O)[nH]c(=O)c(c1Cc1ccccc1)C(C)C
UNII:
X87G8IX72O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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