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799841-68-2 | 1H-Imidazole, 2-(phenoxymethyl)-4-[4-(phenylthio)phenyl]-
CAS No: 799841-68-2 Catalog No: AG008KQI MDL No:
Product Description
Catalog Number:
AG008KQI
Chemical Name:
1H-Imidazole, 2-(phenoxymethyl)-4-[4-(phenylthio)phenyl]-
CAS Number:
799841-68-2
Molecular Formula:
C22H18N2OS
Molecular Weight:
358.4561
IUPAC Name:
2-(phenoxymethyl)-5-(4-phenylsulfanylphenyl)-1H-imidazole
InChI:
InChI=1S/C22H18N2OS/c1-3-7-18(8-4-1)25-16-22-23-15-21(24-22)17-11-13-20(14-12-17)26-19-9-5-2-6-10-19/h1-15H,16H2,(H,23,24)
InChI Key:
VUMYTKXSXJWGNK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCc1[nH]cc(n1)c1ccc(cc1)Sc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.459g/mol
Monoisotopic Mass:
358.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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