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23348-38-1

23348-38-1 | 3(2H)-Pyridazinone, 6-(3-bromophenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-

CAS No: 23348-38-1 Catalog No: AG002MXY MDL No:

Product Description

Catalog Number:
AG002MXY
Chemical Name:
3(2H)-Pyridazinone, 6-(3-bromophenyl)-2-[2-(4-morpholinyl)ethyl]-4-phenyl-
CAS Number:
23348-38-1
Molecular Formula:
C22H22BrN3O2
Molecular Weight:
440.3330
IUPAC Name:
6-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
InChI:
InChI=1S/C22H22BrN3O2/c23-19-8-4-7-18(15-19)21-16-20(17-5-2-1-3-6-17)22(27)26(24-21)10-9-25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChI Key:
VOHBAWOXYXHOKB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nn(CCN2CCOCC2)c(=O)c(c1)c1ccccc1

Properties

Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.09g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.341g/mol
Monoisotopic Mass:
439.09g/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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