ChemDB: Chemical Search
Download
Chemical ID: 5989400
Chemical ID:
5989400
Name [?]:
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(c(c4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-15-12-14(9-10-16(15)22)23-20(27)26-11-5-4-8-17(26)19-24-18(25-28-19)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,22,23,16,26,4,21,25,24,12,7,9,18,27,28,20,8,11,17,19,10/E:(2,3)(6,7)/rA:28cCCCCCCCNCONCCCCCNCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClFN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0897 |
Area: | 591.108 |
Solvation: | -3.68803 |
Coulombic: | -47.4552 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.94 |
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 |
---|