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305865-44-5 | Methanone, [5-chloro-2-(methylamino)phenyl](3,4,5-trimethoxyphenyl)-
CAS No: 305865-44-5 Catalog No: AG0030LY MDL No:
Product Description
Catalog Number:
AG0030LY
Chemical Name:
Methanone, [5-chloro-2-(methylamino)phenyl](3,4,5-trimethoxyphenyl)-
CAS Number:
305865-44-5
Molecular Formula:
C17H18ClNO4
Molecular Weight:
335.7821
IUPAC Name:
[5-chloro-2-(methylamino)phenyl]-(3,4,5-trimethoxyphenyl)methanone
InChI:
InChI=1S/C17H18ClNO4/c1-19-13-6-5-11(18)9-12(13)16(20)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9,19H,1-4H3
InChI Key:
RHYSABVJUQRRBF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)c1cc(Cl)ccc1NC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.784g/mol
Monoisotopic Mass:
335.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Structure-activity and crystallographic analysis of benzophenone derivatives-the potential anticancer agents. | Bioorganic & medicinal chemistry letters 20030106 |
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