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Home > Imidazoles > 109402-17-7
109402-17-7 | 6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione
CAS No: 109402-17-7 Catalog No: AG0082G9 MDL No:MFCD07838403
Product Description
Catalog Number:
AG0082G9
Chemical Name:
6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-5,4'-imidazolidine]-2',5'-dione
CAS Number:
109402-17-7
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD07838403
IUPAC Name:
spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
InChI:
InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
InChI Key:
BCSYSQVTCKMBMK-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(N1)CCCCc1c2cccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Ligand-based design and synthesis of novel sodium channel blockers from a combined phenytoin-lidocaine pharmacophore. | Bioorganic & medicinal chemistry 20091001 |
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