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111716-58-6

111716-58-6 | Propanamide, 2-[4-(2-benzothiazolyloxy)phenoxy]-N-phenyl-

CAS No: 111716-58-6 Catalog No: AG0078XH MDL No:

Product Description

Catalog Number:
AG0078XH
Chemical Name:
Propanamide, 2-[4-(2-benzothiazolyloxy)phenoxy]-N-phenyl-
CAS Number:
111716-58-6
Molecular Formula:
C22H18N2O3S
Molecular Weight:
390.4549
IUPAC Name:
2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-N-phenylpropanamide
InChI:
InChI=1S/C22H18N2O3S/c1-15(21(25)23-16-7-3-2-4-8-16)26-17-11-13-18(14-12-17)27-22-24-19-9-5-6-10-20(19)28-22/h2-15H,1H3,(H,23,25)
InChI Key:
DURIXFGJGFLASV-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1)Oc1nc2c(s1)cccc2)C)Nc1ccccc1

Properties

Complexity:
506  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.104g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.457g/mol
Monoisotopic Mass:
390.104g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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