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104837-20-9 | 2(3H)-Benzoxazolone, 6-benzoyl-3-((4-phenyl-1-piperidinyl)methyl)-
CAS No: 104837-20-9 Catalog No: AG009PA5 MDL No:
Product Description
Catalog Number:
AG009PA5
Chemical Name:
2(3H)-Benzoxazolone, 6-benzoyl-3-((4-phenyl-1-piperidinyl)methyl)-
CAS Number:
104837-20-9
IUPAC Name:
6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
InChI:
InChI=1S/C26H24N2O3/c29-25(21-9-5-2-6-10-21)22-11-12-23-24(17-22)31-26(30)28(23)18-27-15-13-20(14-16-27)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2
InChI Key:
UITMRROVDZOFKO-UHFFFAOYSA-N
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.489g/mol
Monoisotopic Mass:
412.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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