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87988-08-7 | Ethanone, 1-phenyl-2-(5-phenylpyrido[2,3-d]pyridazin-8-yl)-
CAS No: 87988-08-7 Catalog No: AG004OU2 MDL No:
Product Description
Catalog Number:
AG004OU2
Chemical Name:
Ethanone, 1-phenyl-2-(5-phenylpyrido[2,3-d]pyridazin-8-yl)-
CAS Number:
87988-08-7
Molecular Formula:
C21H15N3O
Molecular Weight:
325.3633
IUPAC Name:
1-phenyl-2-(5-phenylpyrido[2,3-d]pyridazin-8-yl)ethanone
InChI:
InChI=1S/C21H15N3O/c25-19(15-8-3-1-4-9-15)14-18-21-17(12-7-13-22-21)20(24-23-18)16-10-5-2-6-11-16/h1-13H,14H2
InChI Key:
NAKMXMBCAWGEOV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1nnc(c2c1nccc2)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.371g/mol
Monoisotopic Mass:
325.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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