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163858-63-7 | Methanone, [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]phenyl-
CAS No: 163858-63-7 Catalog No: AG001UFV MDL No:
Product Description
Catalog Number:
AG001UFV
Chemical Name:
Methanone, [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]phenyl-
CAS Number:
163858-63-7
Molecular Formula:
C20H25NO3
Molecular Weight:
327.4174
IUPAC Name:
[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
InChI:
InChI=1S/C20H25NO3/c1-3-21(4-2)14-17(22)15-24-19-13-9-8-12-18(19)20(23)16-10-6-5-7-11-16/h5-13,17,22H,3-4,14-15H2,1-2H3
InChI Key:
GMNUWTLMPFWNMY-UHFFFAOYSA-N
SMILES:
CCN(CC(COc1ccccc1C(=O)c1ccccc1)O)CC
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.424g/mol
Monoisotopic Mass:
327.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Self-organizing maps for identification of new inhibitors of P-glycoprotein. | Journal of medicinal chemistry 20070405 |
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