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23348-46-1 | 3(2H)-Pyridazinone, 6-(3-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS No: 23348-46-1 Catalog No: AG002MXU MDL No:
Product Description
Catalog Number:
AG002MXU
Chemical Name:
3(2H)-Pyridazinone, 6-(3-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS Number:
23348-46-1
Molecular Formula:
C23H25N3O3
Molecular Weight:
391.4629
IUPAC Name:
6-(3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
InChI:
InChI=1S/C23H25N3O3/c1-28-20-9-5-8-19(16-20)22-17-21(18-6-3-2-4-7-18)23(27)26(24-22)11-10-25-12-14-29-15-13-25/h2-9,16-17H,10-15H2,1H3
InChI Key:
NQLFVTDIYGQWQQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nn(CCN2CCOCC2)c(=O)c(c1)c1ccccc1
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.19g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.471g/mol
Monoisotopic Mass:
391.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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