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88406-45-5 | Benzamide, N-[1-(1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)ethyl]-
CAS No: 88406-45-5 Catalog No: AG004F3J MDL No:
Product Description
Catalog Number:
AG004F3J
Chemical Name:
Benzamide, N-[1-(1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)ethyl]-
CAS Number:
88406-45-5
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
IUPAC Name:
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
InChI:
InChI=1S/C14H15N3O2/c1-9-8-12(18)17-13(15-9)10(2)16-14(19)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,19)(H,15,17,18)
InChI Key:
GEISFULZFDTUIK-UHFFFAOYSA-N
SMILES:
O=c1cc(C)[nH]c(n1)C(NC(=O)c1ccccc1)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.293g/mol
Monoisotopic Mass:
257.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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