ChemDB: Chemical Search
Download
Chemical ID: 5988129
Chemical ID:
5988129
Name [?]:
2-(4-chlorophenoxy)-1-[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H22ClN3O3/c1-15-3-2-4-17(13-15)21-24-22(29-25-21)16-9-11-26(12-10-16)20(27)14-28-19-7-5-18(23)6-8-19/h2-8,13,16H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,25,27,24,28,14,18,15,17,7,21,2,13,6,26,23,19,8,10,29,9,12,16,20,22,11/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCCNCONCCCNCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22ClN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4504 |
Area: | 651.08 |
Solvation: | -4.82664 |
Coulombic: | -36.8909 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 411.881 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.23 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|