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Home > Fluorides > 148146-51-4
148146-51-4 | 2-Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
CAS No: 148146-51-4 Catalog No: AG001FHH MDL No:
Product Description
Catalog Number:
AG001FHH
Chemical Name:
2-Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
CAS Number:
148146-51-4
Molecular Formula:
C26H22FNO4
Molecular Weight:
431.4556
IUPAC Name:
3-(4-fluorobenzoyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
InChI:
InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)
InChI Key:
AAEQXEDPVFIFDK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)C1(OC1(C(=O)Nc1ccccc1)C(=O)C(C)C)c1ccccc1
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.153g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.463g/mol
Monoisotopic Mass:
431.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Isolation and structure determination of oxidative degradation products of atorvastatin. | Journal of pharmaceutical and biomedical analysis 20091205 |
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