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86518-46-9 | N-METHYL-4-PHENYL-PIPERIDIN-4-YL N-(7-CHLORO-4-QUINOLYL)ANTHRANILOYLOXYACETATE
CAS No: 86518-46-9 Catalog No: AG004PT4 MDL No:
Product Description
Catalog Number:
AG004PT4
Chemical Name:
N-METHYL-4-PHENYL-PIPERIDIN-4-YL N-(7-CHLORO-4-QUINOLYL)ANTHRANILOYLOXYACETATE
CAS Number:
86518-46-9
Molecular Formula:
C30H28ClN3O4
Molecular Weight:
530.0140
IUPAC Name:
[2-(1-methyl-4-phenylpiperidin-4-yl)oxy-2-oxoethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate
InChI:
InChI=1S/C30H28ClN3O4/c1-34-17-14-30(15-18-34,21-7-3-2-4-8-21)38-28(35)20-37-29(36)24-9-5-6-10-25(24)33-26-13-16-32-27-19-22(31)11-12-23(26)27/h2-13,16,19H,14-15,17-18,20H2,1H3,(H,32,33)
InChI Key:
LFRYMLIHTYNYAF-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(OC(=O)COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)c1ccccc1
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.177g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
530.021g/mol
Monoisotopic Mass:
529.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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