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89473-76-7 | 1H-Azepine-1-acetamide, N-(4-bromophenyl)hexahydro-
CAS No: 89473-76-7 Catalog No: AG00427G MDL No:
Product Description
Catalog Number:
AG00427G
Chemical Name:
1H-Azepine-1-acetamide, N-(4-bromophenyl)hexahydro-
CAS Number:
89473-76-7
Molecular Formula:
C14H19BrN2O
Molecular Weight:
311.2175
IUPAC Name:
2-(azepan-1-yl)-N-(4-bromophenyl)acetamide
InChI:
InChI=1S/C14H19BrN2O/c15-12-5-7-13(8-6-12)16-14(18)11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)
InChI Key:
MWMTYYXEAVESLH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CN1CCCCCC1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.223g/mol
Monoisotopic Mass:
310.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. | Bioorganic & medicinal chemistry 20110101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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