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Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate

CAS No.:
163521-11-7
Catalog Number:
AG001U72
Molecular Formula:
C28H30N4O3
Molecular Weight:
470.5628
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Product Description
Catalog Number:
AG001U72
Chemical Name:
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate
CAS Number:
163521-11-7
Molecular Formula:
C28H30N4O3
Molecular Weight:
470.5628
MDL Number:
MFCD09833263
IUPAC Name:
ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C28H30N4O3/c1-2-34-28(33)27-17-22-16-23(7-9-26(22)35-27)32-13-11-31(12-14-32)10-4-3-5-21-19-30-25-8-6-20(18-29)15-24(21)25/h6-9,15-17,19,30H,2-5,10-14H2,1H3
InChI Key:
NEAYFBXORWZSFT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1)cc(cc2)N1CCN(CC1)CCCCc1c[nH]c2c1cc(C#N)cc2
Properties
Complexity:
761  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.232g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
470.573g/mol
Monoisotopic Mass:
470.232g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties