ChemDB: Chemical Search
Download
Chemical ID: 7097829
Chemical ID:
7097829
Name [?]:
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C21H21ClN4O3/c1-28-18-9-2-5-14(11-18)19-24-20(29-25-19)15-6-4-10-26(13-15)21(27)23-17-8-3-7-16(22)12-17/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,25,16,6,15,26,24,4,17,8,28,19,7,14,27,23,3,9,11,20,29,22,10,13,18,21,2,12/rA:29cCOCCCCCCCNCONCCCCNCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21ClN4O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1229 |
Area: | 641.668 |
Solvation: | -3.91876 |
Coulombic: | -50.1949 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 412.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.29 |
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 |
---|