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23348-49-4 | 3(2H)-Pyridazinone, 6-(4-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS No: 23348-49-4 Catalog No: AG002MXS MDL No:
Product Description
Catalog Number:
AG002MXS
Chemical Name:
3(2H)-Pyridazinone, 6-(4-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS Number:
23348-49-4
Molecular Formula:
C23H25N3O3
Molecular Weight:
391.4629
IUPAC Name:
6-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
InChI:
InChI=1S/C23H25N3O3/c1-28-20-9-7-19(8-10-20)22-17-21(18-5-3-2-4-6-18)23(27)26(24-22)12-11-25-13-15-29-16-14-25/h2-10,17H,11-16H2,1H3
InChI Key:
RBYHFINQTIBONS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(CCN2CCOCC2)c(=O)c(c1)c1ccccc1
Properties
Complexity:
613
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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