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113499-69-7 | 3(2H)-Benzofuranone, 5-[3-(4-phenyl-1-piperazinyl)propoxy]-
CAS No: 113499-69-7 Catalog No: AG0008RB MDL No:
Product Description
Catalog Number:
AG0008RB
Chemical Name:
3(2H)-Benzofuranone, 5-[3-(4-phenyl-1-piperazinyl)propoxy]-
CAS Number:
113499-69-7
Molecular Formula:
C21H24N2O3
Molecular Weight:
352.4269
IUPAC Name:
5-[3-(4-phenylpiperazin-1-yl)propoxy]-1-benzofuran-3-one
InChI:
InChI=1S/C21H24N2O3/c24-20-16-26-21-8-7-18(15-19(20)21)25-14-4-9-22-10-12-23(13-11-22)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2
InChI Key:
ZDVDUIDJZDJRMN-UHFFFAOYSA-N
SMILES:
O=C1COc2c1cc(OCCCN1CCN(CC1)c1ccccc1)cc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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