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127091-26-3

127091-26-3 | Propanamide, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-N-phenyl-

CAS No: 127091-26-3 Catalog No: AG000WN8 MDL No:

Product Description

Catalog Number:
AG000WN8
Chemical Name:
Propanamide, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-N-phenyl-
CAS Number:
127091-26-3
Molecular Formula:
C22H17ClN2O4
Molecular Weight:
408.8344
IUPAC Name:
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-phenylpropanamide
InChI:
InChI=1S/C22H17ClN2O4/c1-14(21(26)24-16-5-3-2-4-6-16)27-17-8-10-18(11-9-17)28-22-25-19-12-7-15(23)13-20(19)29-22/h2-14H,1H3,(H,24,26)
InChI Key:
NEKWDJWJBDUTNK-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C)Nc1ccccc1

Properties

Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.088g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.838g/mol
Monoisotopic Mass:
408.088g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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