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332173-87-2 | N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-methylpropanamide
CAS No: 332173-87-2 Catalog No: AG003SMD MDL No:
Product Description
Catalog Number:
AG003SMD
Chemical Name:
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-methylpropanamide
CAS Number:
332173-87-2
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-methylpropanamide
InChI:
InChI=1S/C20H20N2O2/c1-13(2)20(24)22-17(14-7-4-3-5-8-14)16-11-10-15-9-6-12-21-18(15)19(16)23/h3-13,17,23H,1-2H3,(H,22,24)
InChI Key:
KIFNEQMOESZSQX-UHFFFAOYSA-N
SMILES:
CC(C(=O)NC(c1ccc2c(c1O)nccc2)c1ccccc1)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Design of mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and new structural templates. | Journal of medicinal chemistry 20071115 |
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