Chemical ID: 6354220

CCOc1ccccc1N2CCN(CC2)C(=O)COc3ccccc3
Chemical ID:
6354220
Name [?]:
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenoxy-ethanone
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C20H24N2O3/c1-2-24-19-11-7-6-10-18(19)21-12-14-22(15-13-21)20(23)16-25-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,22,24,7,6,21,25,8,5,11,15,12,14,18,20,9,4,16,10,13,17,3,19/E:(4,5)(8,9)(12,13)(14,15)/rA:25nCCOCCCCCCNCCNCCCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.93893
Area:570.453
Solvation:-6.32239
Coulombic:-38.1858
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.416
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.4
LogP (Chemaxon):3.01

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Descriptor Annotations

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