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Chemical ID: 5989260
Chemical ID:
5989260
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-ethylphenyl)-piperidine-1-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H23ClN4O2/c1-2-15-6-3-4-9-19(15)24-22(28)27-12-10-16(11-13-27)21-25-20(26-29-21)17-7-5-8-18(23)14-17/h3-9,14,16H,2,10-13H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,25,4,24,26,7,14,16,13,17,28,3,15,23,27,8,20,18,10,29,9,19,21,12,11,22/E:(10,11)(12,13)/rA:29nCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3676 |
Area: | 642.603 |
Solvation: | -2.69751 |
Coulombic: | -44.1061 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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