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23348-40-5 | 3(2H)-Pyridazinone, 4-(3-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-6-phenyl-, hydrochloride (1:?)
CAS No: 23348-40-5 Catalog No: AG002MXX MDL No:
Product Description
Catalog Number:
AG002MXX
Chemical Name:
3(2H)-Pyridazinone, 4-(3-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-6-phenyl-, hydrochloride (1:?)
CAS Number:
23348-40-5
Molecular Formula:
C23H26ClN3O3
Molecular Weight:
427.9238
IUPAC Name:
4-(3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one;hydrochloride
InChI:
InChI=1S/C23H25N3O3.ClH/c1-28-20-9-5-8-19(16-20)21-17-22(18-6-3-2-4-7-18)24-26(23(21)27)11-10-25-12-14-29-15-13-25;/h2-9,16-17H,10-15H2,1H3;1H
InChI Key:
HLQJIOOJPVDIJZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(nn(c1=O)CCN1CCOCC1)c1ccccc1.Cl
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.166g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.929g/mol
Monoisotopic Mass:
427.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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