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23338-59-2 | 3(2H)-Pyridazinone, 6-(4-chlorophenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS No: 23338-59-2 Catalog No: AG002MW4 MDL No:
Product Description
Catalog Number:
AG002MW4
Chemical Name:
3(2H)-Pyridazinone, 6-(4-chlorophenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS Number:
23338-59-2
Molecular Formula:
C22H22ClN3O2
Molecular Weight:
395.8820
IUPAC Name:
6-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
InChI:
InChI=1S/C22H22ClN3O2/c23-19-8-6-18(7-9-19)21-16-20(17-4-2-1-3-5-17)22(27)26(24-21)11-10-25-12-14-28-15-13-25/h1-9,16H,10-15H2
InChI Key:
PXZDPMRCXQTANE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nn(CCN2CCOCC2)c(=O)c(c1)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.887g/mol
Monoisotopic Mass:
395.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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