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Home > Imidazoles > 7245-67-2
7245-67-2 | 1-benzoyl-4-(phenylmethylidene)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 7245-67-2 Catalog No: AG019I1J MDL No:MFCD03984482
Product Description
Catalog Number:
AG019I1J
Chemical Name:
1-benzoyl-4-(phenylmethylidene)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
7245-67-2
Molecular Formula:
C17H12N2O2S
Molecular Weight:
308.3544
MDL Number:
MFCD03984482
IUPAC Name:
3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C17H12N2O2S/c20-15(13-9-5-2-6-10-13)19-16(21)14(18-17(19)22)11-12-7-3-1-4-8-12/h1-11H,(H,18,22)
InChI Key:
QGEFLPAGQLANGH-UHFFFAOYSA-N
SMILES:
SC1=NC(=Cc2ccccc2)C(=O)N1C(=O)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.355g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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