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Home > Indoles and Oxindole > 412314-56-8
412314-56-8 | 2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 412314-56-8 Catalog No: AG00I82K MDL No:MFCD05260559
Product Description
Catalog Number:
AG00I82K
Chemical Name:
2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
412314-56-8
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
MDL Number:
MFCD05260559
IUPAC Name:
2-[2-(2H-tetrazol-5-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
InChI Key:
DEOJDUHRJBKATO-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2n[nH]nn2)C(=O)c2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.226g/mol
Monoisotopic Mass:
243.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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