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139522-11-5 | Benzamide, N,N'-2,5-pyrimidinediylbis- (9CI)
CAS No: 139522-11-5 Catalog No: AG001B6L MDL No:
Product Description
Catalog Number:
AG001B6L
Chemical Name:
Benzamide, N,N'-2,5-pyrimidinediylbis- (9CI)
CAS Number:
139522-11-5
Molecular Formula:
C18H14N4O2
Molecular Weight:
318.3294
IUPAC Name:
N-(2-benzamidopyrimidin-5-yl)benzamide
InChI:
InChI=1S/C18H14N4O2/c23-16(13-7-3-1-4-8-13)21-15-11-19-18(20-12-15)22-17(24)14-9-5-2-6-10-14/h1-12H,(H,21,23)(H,19,20,22,24)
InChI Key:
WVPXSFZYSSYHKM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cnc(nc1)NC(=O)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.336g/mol
Monoisotopic Mass:
318.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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