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89474-22-6 | 2(1H)-Isoquinolineacetamide, N-(4-bromophenyl)-3,4-dihydro-
CAS No: 89474-22-6 Catalog No: AG0043DE MDL No:
Product Description
Catalog Number:
AG0043DE
Chemical Name:
2(1H)-Isoquinolineacetamide, N-(4-bromophenyl)-3,4-dihydro-
CAS Number:
89474-22-6
Molecular Formula:
C17H17BrN2O
Molecular Weight:
345.2337
IUPAC Name:
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
InChI:
InChI=1S/C17H17BrN2O/c18-15-5-7-16(8-6-15)19-17(21)12-20-10-9-13-3-1-2-4-14(13)11-20/h1-8H,9-12H2,(H,19,21)
InChI Key:
HUKILHVAOCNCOH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)CN1CCc2c(C1)cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.24g/mol
Monoisotopic Mass:
344.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 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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