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Home > Imidazoles > 1008698-17-6
1008698-17-6 | 4-benzyl-1-(oxolan-2-ylmethyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 1008698-17-6 Catalog No: AG019I5W MDL No:MFCD03982025
Product Description
Catalog Number:
AG019I5W
Chemical Name:
4-benzyl-1-(oxolan-2-ylmethyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
1008698-17-6
Molecular Formula:
C15H18N2O2S
Molecular Weight:
290.3806
MDL Number:
MFCD03982025
IUPAC Name:
5-benzyl-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C15H18N2O2S/c18-14-13(9-11-5-2-1-3-6-11)16-15(20)17(14)10-12-7-4-8-19-12/h1-3,5-6,12-13H,4,7-10H2,(H,16,20)
InChI Key:
XSSWEDXLBHLXJT-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)N=C(N1CC1CCCO1)S
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.381g/mol
Monoisotopic Mass:
290.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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