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Home > Imidazoles > 917749-49-6
917749-49-6 | 2-(2-Mercapto-benzoimidazol-1-yl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CAS No: 917749-49-6 Catalog No: AG01EZ79 MDL No:
Product Description
Catalog Number:
AG01EZ79
Chemical Name:
2-(2-Mercapto-benzoimidazol-1-yl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CAS Number:
917749-49-6
Molecular Formula:
C18H17N3OS
Molecular Weight:
323.4121
IUPAC Name:
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
InChI:
InChI=1S/C18H17N3OS/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-16-9-5-3-7-14(16)19-18(20)23/h2-9,12H,10-11H2,1H3,(H,19,23)
InChI Key:
MEQYQCQGGGIXEB-UHFFFAOYSA-N
SMILES:
CC1Cc2c(N1C(=O)Cn1c(S)nc3c1cccc3)cccc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.414g/mol
Monoisotopic Mass:
323.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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