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132940-69-3 | BENZENEPROPANAMIDE, N-(6-AMINO-1,2,3,4-TETRAHYDRO-1-METHYL-2,4-DIOXO-3-PROPYL-5-PYRIMIDINYL)-
CAS No: 132940-69-3 Catalog No: AG0011FD MDL No:
Product Description
Catalog Number:
AG0011FD
Chemical Name:
BENZENEPROPANAMIDE, N-(6-AMINO-1,2,3,4-TETRAHYDRO-1-METHYL-2,4-DIOXO-3-PROPYL-5-PYRIMIDINYL)-
CAS Number:
132940-69-3
Molecular Formula:
C17H22N4O3
Molecular Weight:
330.3816
IUPAC Name:
N-(6-amino-1-methyl-2,4-dioxo-3-propylpyrimidin-5-yl)-3-phenylpropanamide
InChI:
InChI=1S/C17H22N4O3/c1-3-11-21-16(23)14(15(18)20(2)17(21)24)19-13(22)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11,18H2,1-2H3,(H,19,22)
InChI Key:
OQKDGCFSZWEWII-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c(NC(=O)CCc2ccccc2)c(n(c1=O)C)N
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.388g/mol
Monoisotopic Mass:
330.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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