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4424-80-0 | 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
CAS No: 4424-80-0 Catalog No: AG003DFS MDL No:MFCD00024149
Product Description
Catalog Number:
AG003DFS
Chemical Name:
1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
CAS Number:
4424-80-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00024149
IUPAC Name:
1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChI Key:
HRVRAYIYXRVAPR-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)cccc2
NSC Number:
65882
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
| Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com. | Bioorganic & medicinal chemistry letters 20060201 |
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