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Home > Imidazoles > 725710-48-5
725710-48-5 | 3-(3-methoxyphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
CAS No: 725710-48-5 Catalog No: AG019J00 MDL No:MFCD03961602
Product Description
Catalog Number:
AG019J00
Chemical Name:
3-(3-methoxyphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
CAS Number:
725710-48-5
Molecular Formula:
C20H20N2O2S
Molecular Weight:
352.4500
MDL Number:
MFCD03961602
IUPAC Name:
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C20H20N2O2S/c1-13(2)15-9-7-14(8-10-15)11-18-19(23)22(20(25)21-18)16-5-4-6-17(12-16)24-3/h4-13H,1-3H3,(H,21,25)
InChI Key:
YPPAQBTVRSDRAI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1C(=S)NC(=Cc2ccc(cc2)C(C)C)C1=O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.452g/mol
Monoisotopic Mass:
352.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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