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352023-37-1 | 2-(1-Azepanylcarbonyl)cyclohexanecarboxylic acid
CAS No: 352023-37-1 Catalog No: AG01FOA5 MDL No:
Product Description
Catalog Number:
AG01FOA5
Chemical Name:
2-(1-Azepanylcarbonyl)cyclohexanecarboxylic acid
CAS Number:
352023-37-1
IUPAC Name:
2-(azepane-1-carbonyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H23NO3/c16-13(15-9-5-1-2-6-10-15)11-7-3-4-8-12(11)14(17)18/h11-12H,1-10H2,(H,17,18)
InChI Key:
KYLPETYBULKPEF-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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