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Home > Indoles and Oxindole > 88422-83-7
88422-83-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dihydro-1-isoquinolinyl)methyl]-
CAS No: 88422-83-7 Catalog No: AG004KG7 MDL No:MFCD00552809
Product Description
Catalog Number:
AG004KG7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3,4-dihydro-1-isoquinolinyl)methyl]-
CAS Number:
88422-83-7
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
MDL Number:
MFCD00552809
IUPAC Name:
2-(3,4-dihydroisoquinolin-1-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H14N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8H,9-11H2
InChI Key:
VORHKXJENRYGEN-UHFFFAOYSA-N
SMILES:
O=C1N(CC2=NCCc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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