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Home > Imidazoles > 832738-19-9
832738-19-9 | 3-[2-(3,4-DIETHOXYPHENYL)ETHYL]-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS No: 832738-19-9 Catalog No: AG01ANNN MDL No:MFCD03422801
Product Description
Catalog Number:
AG01ANNN
Chemical Name:
3-[2-(3,4-DIETHOXYPHENYL)ETHYL]-2-THIOXOIMIDAZOLIDIN-4-ONE
CAS Number:
832738-19-9
Molecular Formula:
C15H20N2O3S
Molecular Weight:
308.3959
MDL Number:
MFCD03422801
IUPAC Name:
3-[2-(3,4-diethoxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C15H20N2O3S/c1-3-19-12-6-5-11(9-13(12)20-4-2)7-8-17-14(18)10-16-15(17)21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,21)
InChI Key:
RYEXKHSTKFKOER-UHFFFAOYSA-N
SMILES:
CCOc1cc(CCN2C(=S)NCC2=O)ccc1OCC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.396g/mol
Monoisotopic Mass:
308.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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