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23348-44-9 | 3(2H)-Pyridazinone, 2-[2-(4-morpholinyl)ethyl]-4-phenyl-6-[3-(trifluoromethyl)phenyl]-
CAS No: 23348-44-9 Catalog No: AG002MXV MDL No:
Product Description
Catalog Number:
AG002MXV
Chemical Name:
3(2H)-Pyridazinone, 2-[2-(4-morpholinyl)ethyl]-4-phenyl-6-[3-(trifluoromethyl)phenyl]-
CAS Number:
23348-44-9
Molecular Formula:
C23H22F3N3O2
Molecular Weight:
429.4349
IUPAC Name:
2-(2-morpholin-4-ylethyl)-4-phenyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one
InChI:
InChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-18(15-19)21-16-20(17-5-2-1-3-6-17)22(30)29(27-21)10-9-28-11-13-31-14-12-28/h1-8,15-16H,9-14H2
InChI Key:
LVBYUAVGTDZZCK-UHFFFAOYSA-N
SMILES:
O=c1n(CCN2CCOCC2)nc(cc1c1ccccc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.166g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.443g/mol
Monoisotopic Mass:
429.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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