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338793-51-4

338793-51-4 | N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

CAS No: 338793-51-4 Catalog No: AG00IR9Y MDL No:MFCD00215036

Product Description

Catalog Number:
AG00IR9Y
Chemical Name:
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CAS Number:
338793-51-4
Molecular Formula:
C23H22N2O2
Molecular Weight:
358.4330
MDL Number:
MFCD00215036
IUPAC Name:
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
InChI:
InChI=1S/C23H22N2O2/c26-23(16-22-21-9-5-4-6-17(21)14-15-24-22)25-18-10-12-20(13-11-18)27-19-7-2-1-3-8-19/h1-13,22,24H,14-16H2,(H,25,26)
InChI Key:
PGQAPBDURPHHDJ-UHFFFAOYSA-N
SMILES:
O=C(CC1NCCc2c1cccc2)Nc1ccc(cc1)Oc1ccccc1

Properties

Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.168g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
358.441g/mol
Monoisotopic Mass:
358.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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