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Chemical ID: 5989257
Chemical ID:
5989257
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)-piperidine-1-carboxamide
SMILES [?]:
CCc1cccc(c1)NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H23ClN4O2/c1-2-15-5-3-8-19(13-15)24-22(28)27-11-9-16(10-12-27)21-25-20(26-29-21)17-6-4-7-18(23)14-17/h3-8,13-14,16H,2,9-12H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,5,25,4,24,26,6,14,16,13,17,8,28,3,15,23,27,7,20,18,10,29,9,19,21,12,11,22/E:(9,10)(11,12)/rA:29nCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 13.632 |
Area: | 654.087 |
Solvation: | -2.72023 |
Coulombic: | -44.0006 |
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: | 4.96 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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