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917749-51-0 | N-Benzyl-2-(2-mercapto-benzoimidazol-1-yl)-acetamide
CAS No: 917749-51-0 Catalog No: AG01F8N9 MDL No:
Product Description
Catalog Number:
AG01F8N9
Chemical Name:
N-Benzyl-2-(2-mercapto-benzoimidazol-1-yl)-acetamide
CAS Number:
917749-51-0
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
IUPAC Name:
N-benzyl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
InChI:
InChI=1S/C16H15N3OS/c20-15(17-10-12-6-2-1-3-7-12)11-19-14-9-5-4-8-13(14)18-16(19)21/h1-9H,10-11H2,(H,17,20)(H,18,21)
InChI Key:
VDYUDHWMLSEUBC-UHFFFAOYSA-N
SMILES:
O=C(Cn1c(S)nc2c1cccc2)NCc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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