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89541-58-2 | Benzamide, 4-amino-N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-
CAS No: 89541-58-2 Catalog No: AG0040JE MDL No:
Product Description
Catalog Number:
AG0040JE
Chemical Name:
Benzamide, 4-amino-N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-
CAS Number:
89541-58-2
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
IUPAC Name:
4-amino-N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]benzamide
InChI:
InChI=1S/C17H14N4O2/c18-13-5-1-12(2-6-13)17(23)21-14-7-3-11(4-8-14)15-9-20-16(22)10-19-15/h1-10H,18H2,(H,20,22)(H,21,23)
InChI Key:
MAROPKCMKGVGRZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)Nc1ccc(cc1)c1c[nH]c(=O)cn1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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