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923571-20-4 | (E)-2-((1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)Methylene)-5,6-diMethoxy-2,3-dihydro-1H-inden-1-one
CAS No: 923571-20-4 Catalog No: AG00GTW9 MDL No:
Product Description
Catalog Number:
AG00GTW9
Chemical Name:
(E)-2-((1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)Methylene)-5,6-diMethoxy-2,3-dihydro-1H-inden-1-one
CAS Number:
923571-20-4
Molecular Formula:
C24H25NO3
Molecular Weight:
375.4602
IUPAC Name:
(2E)-2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
InChI:
InChI=1S/C24H25NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-8,12,14-15H,9-11,13,16H2,1-2H3/b20-12+
InChI Key:
COHPXOXOTGQWNU-UDWIEESQSA-N
SMILES:
COc1cc2c(cc1OC)C/C(=C\C1=CCN(CC1)Cc1ccccc1)/C2=O
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
375.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.468g/mol
Monoisotopic Mass:
375.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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