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Home > Imidazoles > 692278-97-0
692278-97-0 | 3-BENZYL-1-(4-METHOXYPHENYL)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS No: 692278-97-0 Catalog No: AG01AO7T MDL No:MFCD03722164
Product Description
Catalog Number:
AG01AO7T
Chemical Name:
3-BENZYL-1-(4-METHOXYPHENYL)-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS Number:
692278-97-0
Molecular Formula:
C17H16N2O2S
Molecular Weight:
312.3861
MDL Number:
MFCD03722164
IUPAC Name:
3-benzyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C17H16N2O2S/c1-21-15-9-7-14(8-10-15)18-12-16(20)19(17(18)22)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChI Key:
NUGRXIOLQZIHNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CC(=O)N(C1=S)Cc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.387g/mol
Monoisotopic Mass:
312.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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