ChemDB: Chemical Search
Download
Chemical ID: 5988812
Chemical ID:
5988812
Name [?]:
(3,5-dichlorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O3/c1-28-18-6-2-4-13(10-18)19-24-20(29-25-19)14-5-3-7-26(12-14)21(27)15-8-16(22)11-17(23)9-15/h2,4,6,8-11,14H,3,5,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,16,6,15,4,17,23,27,8,25,19,7,14,22,24,26,3,9,11,20,29,28,10,13,18,21,2,12/E:(8,9)(16,17)(22,23)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19Cl2N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.547 |
Area: | 657.453 |
Solvation: | -3.88929 |
Coulombic: | -37.5594 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 432.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.4 |
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 |
---|