ChemDB: Chemical Search
Download
Chemical ID: 5989419
Chemical ID:
5989419
Name [?]:
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N4O2/c21-15-7-4-8-16(17(15)22)23-20(27)26-11-9-14(10-12-26)19-24-18(25-28-19)13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,24,22,13,17,14,16,4,12,25,21,26,7,9,18,28,27,20,8,11,15,19,10/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCNCONCCCNCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1957 |
Area: | 623.267 |
Solvation: | -2.38593 |
Coulombic: | -44.7832 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 417.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.26 |
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 |
---|