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159970-38-4 | Benzamide, 2-amino-N-(hexahydro-2-oxo-1H-azepin-3-yl)-
CAS No: 159970-38-4 Catalog No: AG001RKE MDL No:MFCD00277370
Product Description
Catalog Number:
AG001RKE
Chemical Name:
Benzamide, 2-amino-N-(hexahydro-2-oxo-1H-azepin-3-yl)-
CAS Number:
159970-38-4
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
MDL Number:
MFCD00277370
IUPAC Name:
2-amino-N-(2-oxoazepan-3-yl)benzamide
InChI:
InChI=1S/C13H17N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8,14H2,(H,15,18)(H,16,17)
InChI Key:
LPKBXZPNZBXSNO-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1NC(=O)c1ccccc1N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists. | Journal of medicinal chemistry 20081009 |
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