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1146289-99-7 | N-[(4-methylphenyl)methyl]-3-(2-sulfanyl-1H-imidazol-1-yl)benzamide
CAS No: 1146289-99-7 Catalog No: AG019UUG MDL No:MFCD14703425
Product Description
Catalog Number:
AG019UUG
Chemical Name:
N-[(4-methylphenyl)methyl]-3-(2-sulfanyl-1H-imidazol-1-yl)benzamide
CAS Number:
1146289-99-7
Molecular Formula:
C18H17N3OS
Molecular Weight:
323.4121
MDL Number:
MFCD14703425
IUPAC Name:
N-[(4-methylphenyl)methyl]-3-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C18H17N3OS/c1-13-5-7-14(8-6-13)12-20-17(22)15-3-2-4-16(11-15)21-10-9-19-18(21)23/h2-11H,12H2,1H3,(H,19,23)(H,20,22)
InChI Key:
IRVRNXXSLDFCBU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNC(=O)c1cccc(c1)n1ccnc1S
Properties
Complexity:
471
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:
2
Isotope Atom Count:
0
Molecular Weight:
323.414g/mol
Monoisotopic Mass:
323.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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