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17766-64-2

17766-64-2 | Methanone, [4-(2-chlorophenyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)-

CAS No: 17766-64-2 Catalog No: AG0025GC MDL No:

Product Description

Catalog Number:
AG0025GC
Chemical Name:
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)-
CAS Number:
17766-64-2
Molecular Formula:
C20H23ClN2O4
Molecular Weight:
390.8606
IUPAC Name:
[4-(2-chlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
InChI:
InChI=1S/C20H23ClN2O4/c1-25-17-12-14(13-18(26-2)19(17)27-3)20(24)23-10-8-22(9-11-23)16-7-5-4-6-15(16)21/h4-7,12-13H,8-11H2,1-3H3
InChI Key:
OQYWWRHIFWIYOY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)c1ccccc1Cl
NSC Number:
55994

Properties

Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.135g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.864g/mol
Monoisotopic Mass:
390.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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