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Chemical ID: 6354220
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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