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1223626-10-5 | 3-methoxy-N-[3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)phenyl]benzamide
CAS No: 1223626-10-5 Catalog No: AG01FIA1 MDL No:
Product Description
Catalog Number:
AG01FIA1
Chemical Name:
3-methoxy-N-[3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)phenyl]benzamide
CAS Number:
1223626-10-5
Molecular Formula:
C19H17N3O3
Molecular Weight:
335.3566
IUPAC Name:
3-methoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
InChI:
InChI=1S/C19H17N3O3/c1-12-9-17(23)22-18(20-12)13-5-3-7-15(10-13)21-19(24)14-6-4-8-16(11-14)25-2/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
InChI Key:
NZCMSBANHNZNPH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Nc1cccc(c1)c1nc(=O)cc([nH]1)C
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.363g/mol
Monoisotopic Mass:
335.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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