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2896-24-4 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(phenylmethyl)-
CAS No: 2896-24-4 Catalog No: AG002V0B MDL No:MFCD00573270
Product Description
Catalog Number:
AG002V0B
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(phenylmethyl)-
CAS Number:
2896-24-4
Molecular Formula:
C19H13NO2
Molecular Weight:
287.3120
MDL Number:
MFCD00573270
IUPAC Name:
2-benzylbenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C19H13NO2/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)12-13-6-2-1-3-7-13/h1-11H,12H2
InChI Key:
OIADVGWFJUXPCK-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)c(=O)c2c3c1cccc3ccc2
NSC Number:
107040
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.318g/mol
Monoisotopic Mass:
287.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Evaluation of apoptotic effect of cyclic imide derivatives on murine B16F10 melanoma cells. | Bioorganic & medicinal chemistry 20111101 |
| 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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