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127143-19-5 | Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CAS No: 127143-19-5 Catalog No: AG000WPI MDL No:MFCD00114239
Product Description
Catalog Number:
AG000WPI
Chemical Name:
Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CAS Number:
127143-19-5
Molecular Formula:
C20H15NO4
Molecular Weight:
333.3374
MDL Number:
MFCD00114239
IUPAC Name:
N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)benzamide
InChI:
InChI=1S/C20H15NO4/c1-13-16(18(22)14-8-4-2-5-9-14)12-17(20(24)25-13)21-19(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)
InChI Key:
OECHXMGVPRCCIN-UHFFFAOYSA-N
SMILES:
O=c1oc(C)c(cc1NC(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.343g/mol
Monoisotopic Mass:
333.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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