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Home > Imidazoles > 352563-64-5
352563-64-5 | N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CAS No: 352563-64-5 Catalog No: AG01AFPC MDL No:MFCD01832841
Product Description
Catalog Number:
AG01AFPC
Chemical Name:
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CAS Number:
352563-64-5
Molecular Formula:
C21H18N4OS2
Molecular Weight:
406.5238
MDL Number:
MFCD01832841
IUPAC Name:
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
InChI:
InChI=1S/C21H18N4OS2/c1-14-7-9-16(10-8-14)18-12-27-21(24-18)25-19(26)13-28-20-22-11-17(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)(H,24,25,26)
InChI Key:
NBQVUWCMHIMWAP-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)c1ccc(cc1)C)CSc1[nH]cc(n1)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.092g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.522g/mol
Monoisotopic Mass:
406.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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