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Home > Imidazoles > 330955-59-4
330955-59-4 | 3-(1-Cyclohexyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
CAS No: 330955-59-4 Catalog No: AG017BUA MDL No:
Product Description
Catalog Number:
AG017BUA
Chemical Name:
3-(1-Cyclohexyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
CAS Number:
330955-59-4
Molecular Formula:
C16H20N2O2S
Molecular Weight:
304.4072
IUPAC Name:
3-(1-cyclohexylbenzimidazol-2-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C16H20N2O2S/c19-15(20)10-11-21-16-17-13-8-4-5-9-14(13)18(16)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,20)
InChI Key:
QPHBYFQFLMXRFV-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1nc2c(n1C1CCCCC1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.408g/mol
Monoisotopic Mass:
304.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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