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70525-44-9 | 3-Benzoyl-2-phenylnaphtho[2,3-b]furan-4,9-dione
CAS No: 70525-44-9 Catalog No: AG005I55 MDL No:
Product Description
Catalog Number:
AG005I55
Chemical Name:
3-Benzoyl-2-phenylnaphtho[2,3-b]furan-4,9-dione
CAS Number:
70525-44-9
Molecular Formula:
C25H14O4
Molecular Weight:
378.3763
IUPAC Name:
3-benzoyl-2-phenylbenzo[f][1]benzofuran-4,9-dione
InChI:
InChI=1S/C25H14O4/c26-21(15-9-3-1-4-10-15)19-20-22(27)17-13-7-8-14-18(17)23(28)25(20)29-24(19)16-11-5-2-6-12-16/h1-14H
InChI Key:
LLVULZDXNBPGIC-UHFFFAOYSA-N
SMILES:
O=C(c1c(oc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.089g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.383g/mol
Monoisotopic Mass:
378.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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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