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Home > Pyridines > 159799-43-6
159799-43-6 | 1-(4-methoxybenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CAS No: 159799-43-6 Catalog No: AG00IRUA MDL No:MFCD00975362
Product Description
Catalog Number:
AG00IRUA
Chemical Name:
1-(4-methoxybenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CAS Number:
159799-43-6
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
MDL Number:
MFCD00975362
IUPAC Name:
(4-methoxyphenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
InChI:
InChI=1S/C18H18N2O2/c1-22-16-11-9-15(10-12-16)18(21)20-13-5-8-17(19-20)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChI Key:
VZENNTIMTHUAKA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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