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89474-24-8 | 2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-(4-methylphenyl)-
CAS No: 89474-24-8 Catalog No: AG008806 MDL No:
Product Description
Catalog Number:
AG008806
Chemical Name:
2(1H)-Isoquinolineacetamide, 3,4-dihydro-N-(4-methylphenyl)-
CAS Number:
89474-24-8
Molecular Formula:
C18H20N2O
Molecular Weight:
280.3642
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)acetamide
InChI:
InChI=1S/C18H20N2O/c1-14-6-8-17(9-7-14)19-18(21)13-20-11-10-15-4-2-3-5-16(15)12-20/h2-9H,10-13H2,1H3,(H,19,21)
InChI Key:
GYEGBFUEMLBSFM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)CN1CCc2c(C1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.371g/mol
Monoisotopic Mass:
280.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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