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116876-42-7 | 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-3-phenyl-
CAS No: 116876-42-7 Catalog No: AG000DC2 MDL No:
Product Description
Catalog Number:
AG000DC2
Chemical Name:
2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-3-phenyl-
CAS Number:
116876-42-7
Molecular Formula:
C21H23NO4
Molecular Weight:
353.4116
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C21H23NO4/c1-24-19-9-8-17(14-20(19)25-2)18(16-6-4-3-5-7-16)15-21(23)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3
InChI Key:
LYPNHHLQBJDNKX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.418g/mol
Monoisotopic Mass:
353.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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