200,000+ products from a single source!
sales@angenechem.com
86518-57-2 | N-PHENACYL-PIPERIDIN-4-YL N-(7-CHLORO-4-QUINOLYL)ANTHRANILOYLOXYACETATE
CAS No: 86518-57-2 Catalog No: AG004M07 MDL No:
Product Description
Catalog Number:
AG004M07
Chemical Name:
N-PHENACYL-PIPERIDIN-4-YL N-(7-CHLORO-4-QUINOLYL)ANTHRANILOYLOXYACETATE
CAS Number:
86518-57-2
Molecular Formula:
C31H28ClN3O5
Molecular Weight:
558.0241
IUPAC Name:
[2-oxo-2-(1-phenacylpiperidin-4-yl)oxyethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate
InChI:
InChI=1S/C31H28ClN3O5/c32-22-10-11-24-27(12-15-33-28(24)18-22)34-26-9-5-4-8-25(26)31(38)39-20-30(37)40-23-13-16-35(17-14-23)19-29(36)21-6-2-1-3-7-21/h1-12,15,18,23H,13-14,16-17,19-20H2,(H,33,34)
InChI Key:
BJCWECRJPYQDGK-UHFFFAOYSA-N
SMILES:
O=C(OC1CCN(CC1)CC(=O)c1ccccc1)COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl
Properties
Complexity:
860
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.172g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
558.031g/mol
Monoisotopic Mass:
557.172g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.