ChemDB: Chemical Search
Download
Chemical ID: 4807821
Chemical ID:
4807821
Name [?]:
N-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)c3ccccc3C(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H14ClN3O2/c22-15-10-12-16(13-11-15)23-20(26)17-8-4-5-9-18(17)21-24-19(25-27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,5,16,13,23,25,22,26,4,24,21,17,12,7,18,9,27,20,8,11,19,10/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCNCONCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7464 |
Area: | 585.014 |
Solvation: | -2.87893 |
Coulombic: | -36.6713 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.65 |
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 |
---|