200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 20852-44-2
20852-44-2 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(2-oxo-3(2H)-benzoxazolyl)propyl]-
CAS No: 20852-44-2 Catalog No: AG002JRF MDL No:
Product Description
Catalog Number:
AG002JRF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(2-oxo-3(2H)-benzoxazolyl)propyl]-
CAS Number:
20852-44-2
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
2-[3-(2-oxo-1,3-benzoxazol-3-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H14N2O4/c21-16-12-6-1-2-7-13(12)17(22)20(16)11-5-10-19-14-8-3-4-9-15(14)24-18(19)23/h1-4,6-9H,5,10-11H2
InChI Key:
GJPPCVUBBPPQIM-UHFFFAOYSA-N
SMILES:
O=C1N(CCCn2c(=O)oc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.