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681448-78-2 | BENZAMIDE, N-4-ISOQUINOLINYL-
CAS No: 681448-78-2 Catalog No: AG005MIT MDL No:
Product Description
Catalog Number:
AG005MIT
Chemical Name:
BENZAMIDE, N-4-ISOQUINOLINYL-
CAS Number:
681448-78-2
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
N-isoquinolin-4-ylbenzamide
InChI:
InChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)18-15-11-17-10-13-8-4-5-9-14(13)15/h1-11H,(H,18,19)
InChI Key:
PBIBJVJKWIRIOA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cncc2c1cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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