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824392-36-1 | 2,4-Oxazolidinedione, 5-heptyl-5-phenyl-
CAS No: 824392-36-1 Catalog No: AG008JW0 MDL No:
Product Description
Catalog Number:
AG008JW0
Chemical Name:
2,4-Oxazolidinedione, 5-heptyl-5-phenyl-
CAS Number:
824392-36-1
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
5-heptyl-5-phenyl-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C16H21NO3/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(18)17-15(19)20-16/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,18,19)
InChI Key:
DNWLQPSILYIWAI-UHFFFAOYSA-N
SMILES:
CCCCCCCC1(OC(=O)NC1=O)c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationship studies for hydantoins and analogues as voltage-gated sodium channel ligands. | Journal of medicinal chemistry 20041216 |
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