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124437-50-9

124437-50-9 | Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-

CAS No: 124437-50-9 Catalog No: AG000M0L MDL No:

Product Description

Catalog Number:
AG000M0L
Chemical Name:
Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-
CAS Number:
124437-50-9
Molecular Formula:
C18H20ClN3O2
Molecular Weight:
345.8233
IUPAC Name:
4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzaldehyde
InChI:
InChI=1S/C18H20ClN3O2/c19-17-5-6-18(21-20-17)22-10-7-14(8-11-22)9-12-24-16-3-1-15(13-23)2-4-16/h1-6,13-14H,7-12H2
InChI Key:
ZLKXCFJTGDNRLO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCC1CCN(CC1)c1ccc(nn1)Cl

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.124g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.827g/mol
Monoisotopic Mass:
345.124g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus. Journal of medicinal chemistry 20030717

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