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Home > Imidazoles > 252004-95-8
252004-95-8 | 2-Imidazolidinone, 4-imino-1-(2-methoxyphenyl)-3-phenyl-5-thioxo-
CAS No: 252004-95-8 Catalog No: AG002QWE MDL No:
Product Description
Catalog Number:
AG002QWE
Chemical Name:
2-Imidazolidinone, 4-imino-1-(2-methoxyphenyl)-3-phenyl-5-thioxo-
CAS Number:
252004-95-8
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
IUPAC Name:
4-imino-1-(2-methoxyphenyl)-3-phenyl-5-sulfanylideneimidazolidin-2-one
InChI:
InChI=1S/C16H13N3O2S/c1-21-13-10-6-5-9-12(13)19-15(22)14(17)18(16(19)20)11-7-3-2-4-8-11/h2-10,17H,1H3
InChI Key:
KEKBDUIKDDIYJC-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1C(=S)C(=N)N(C1=O)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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