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Home > Indoles and Oxindole > 219611-74-2
219611-74-2 | 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione
CAS No: 219611-74-2 Catalog No: AG00JIZG MDL No:MFCD05994454
Product Description
Catalog Number:
AG00JIZG
Chemical Name:
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-isoindole-1,3(2H)-dione
CAS Number:
219611-74-2
Molecular Formula:
C17H11N3O3
Molecular Weight:
305.2875
MDL Number:
MFCD05994454
IUPAC Name:
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H11N3O3/c21-16-12-8-4-5-9-13(12)17(22)20(16)10-14-18-15(19-23-14)11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
KBKAAXBPTLCJPV-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2onc(n2)c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.293g/mol
Monoisotopic Mass:
305.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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