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7461-65-6 | CYCLOHEXYL 4-ACETAMIDOBENZOATE
CAS No: 7461-65-6 Catalog No: AG005J3V MDL No:
Product Description
Catalog Number:
AG005J3V
Chemical Name:
CYCLOHEXYL 4-ACETAMIDOBENZOATE
CAS Number:
7461-65-6
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
cyclohexyl 4-acetamidobenzoate
InChI:
InChI=1S/C15H19NO3/c1-11(17)16-13-9-7-12(8-10-13)15(18)19-14-5-3-2-4-6-14/h7-10,14H,2-6H2,1H3,(H,16,17)
InChI Key:
OLEWHCRXNTXNLM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)NC(=O)C)OC1CCCCC1
NSC Number:
403621
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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