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123978-87-0 | Phosphonic acid, P-[(benzoylamino)phenylmethyl]-, diethyl ester
CAS No: 123978-87-0 Catalog No: AG000LBI MDL No:
Product Description
Catalog Number:
AG000LBI
Chemical Name:
Phosphonic acid, P-[(benzoylamino)phenylmethyl]-, diethyl ester
CAS Number:
123978-87-0
Molecular Formula:
C18H22NO4P
Molecular Weight:
347.3453
IUPAC Name:
N-[diethoxyphosphoryl(phenyl)methyl]benzamide
InChI:
InChI=1S/C18H22NO4P/c1-3-22-24(21,23-4-2)18(16-13-9-6-10-14-16)19-17(20)15-11-7-5-8-12-15/h5-14,18H,3-4H2,1-2H3,(H,19,20)
InChI Key:
WSFJEDKBRTZTPH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)NC(=O)c1ccccc1)OCC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.129g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.351g/mol
Monoisotopic Mass:
347.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activities of amide derivatives containing the alpha-aminophosphonate moiety. | Journal of agricultural and food chemistry 20080213 |
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