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86518-50-5

86518-50-5 | N-METHYL-PIPERIDIN-4-YL N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILOYLOXYACETATE

CAS No: 86518-50-5 Catalog No: AG004M08 MDL No:

Product Description

Catalog Number:
AG004M08
Chemical Name:
N-METHYL-PIPERIDIN-4-YL N-(7-TRIFLUOROMETHYL-4-QUINOLYL)ANTHRANILOYLOXYACETATE
CAS Number:
86518-50-5
Molecular Formula:
C25H24F3N3O4
Molecular Weight:
487.4710
IUPAC Name:
[2-(1-methylpiperidin-4-yl)oxy-2-oxoethyl] 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate
InChI:
InChI=1S/C25H24F3N3O4/c1-31-12-9-17(10-13-31)35-23(32)15-34-24(33)19-4-2-3-5-20(19)30-21-8-11-29-22-14-16(25(26,27)28)6-7-18(21)22/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,29,30)
InChI Key:
LNRHOEPINOFRPT-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)OC(=O)COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)C(F)(F)F

Properties

Complexity:
729  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.172g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
487.479g/mol
Monoisotopic Mass:
487.172g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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