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Home > Imidazoles > 1097198-74-7
1097198-74-7 | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one
CAS No: 1097198-74-7 Catalog No: AG019IZZ MDL No:MFCD03961607
Product Description
Catalog Number:
AG019IZZ
Chemical Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one
CAS Number:
1097198-74-7
Molecular Formula:
C16H22N2O3S
Molecular Weight:
322.4225
MDL Number:
MFCD03961607
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C16H22N2O3S/c1-10(2)14-15(19)18(16(22)17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,17,22)
InChI Key:
INKQEGZHZRPTOF-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2C(=S)NC(C2=O)C(C)C)ccc1OC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.423g/mol
Monoisotopic Mass:
322.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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