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Home > Imidazoles > 379255-63-7
379255-63-7 | 1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 379255-63-7 Catalog No: AG019HAM MDL No:MFCD03147386
Product Description
Catalog Number:
AG019HAM
Chemical Name:
1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
379255-63-7
Molecular Formula:
C19H18N2O2S
Molecular Weight:
338.4234
MDL Number:
MFCD03147386
IUPAC Name:
3-(3,5-dimethylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C19H18N2O2S/c1-12-8-13(2)10-15(9-12)21-18(22)17(20-19(21)24)11-14-4-6-16(23-3)7-5-14/h4-11H,1-3H3,(H,20,24)
InChI Key:
QDXJXGLNIPJFPO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1N=C(N(C1=O)c1cc(C)cc(c1)C)S
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.425g/mol
Monoisotopic Mass:
338.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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