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148749-35-3 | 1H-Imidazole, 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-, hydrochloride (1:1)
CAS No: 148749-35-3 Catalog No: AG001L6Y MDL No:
Product Description
Catalog Number:
AG001L6Y
Chemical Name:
1H-Imidazole, 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-, hydrochloride (1:1)
CAS Number:
148749-35-3
Molecular Formula:
C16H22Cl2N2O2
Molecular Weight:
345.2641
IUPAC Name:
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole;hydrochloride
InChI:
InChI=1S/C16H21ClN2O2.ClH/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19;/h6-8,10,12-13H,2-5,9,11H2,1H3;1H
InChI Key:
JBJHZUMHWKVPJK-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Cl)OCCCCCCn1cncc1.Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.264g/mol
Monoisotopic Mass:
344.106g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| SCH 38057: a picornavirus capsid-binding molecule with antiviral activity after the initial stage of viral uncoating. | Antiviral research 19930501 |
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