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28664-99-5

28664-99-5 | 3(2H)-Pyridazinone, 4-methyl-2-[1-methyl-2-(4-morpholinyl)ethyl]-6-phenyl-, hydrochloride (1:1)

CAS No: 28664-99-5 Catalog No: AG002W09 MDL No:

Product Description

Catalog Number:
AG002W09
Chemical Name:
3(2H)-Pyridazinone, 4-methyl-2-[1-methyl-2-(4-morpholinyl)ethyl]-6-phenyl-, hydrochloride (1:1)
CAS Number:
28664-99-5
Molecular Formula:
C18H24ClN3O2
Molecular Weight:
349.8551
IUPAC Name:
4-methyl-2-(1-morpholin-4-ylpropan-2-yl)-6-phenylpyridazin-3-one;hydrochloride
InChI:
InChI=1S/C18H23N3O2.ClH/c1-14-12-17(16-6-4-3-5-7-16)19-21(18(14)22)15(2)13-20-8-10-23-11-9-20;/h3-7,12,15H,8-11,13H2,1-2H3;1H
InChI Key:
VYAHFABPFXGMTE-UHFFFAOYSA-N
SMILES:
Cc1cc(nn(c1=O)C(CN1CCOCC1)C)c1ccccc1.Cl

Properties

Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.156g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.859g/mol
Monoisotopic Mass:
349.156g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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