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31060-64-7 | 1H-Indene-1,3(2H)-dione, 2-(1H-indol-3-ylmethylene)-
CAS No: 31060-64-7 Catalog No: AG00321E MDL No:
Product Description
Catalog Number:
AG00321E
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(1H-indol-3-ylmethylene)-
CAS Number:
31060-64-7
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
2-(1H-indol-3-ylmethylidene)indene-1,3-dione
InChI:
InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)15(17)9-11-10-19-16-8-4-3-5-12(11)16/h1-10,19H
InChI Key:
XKPKACXWCATSFM-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2c[nH]c3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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