ChemDB: Chemical Search
Download
Chemical ID: 5994999
Chemical ID:
5994999
Name [?]:
(2,6-dimethoxyphenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4c(cccc4OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-9-4-7-15(13-17)21-24-22(31-25-21)16-8-6-12-26(14-16)23(27)20-18(29-2)10-5-11-19(20)30-3/h4-5,7,9-11,13,16H,6,8,12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,31,5,25,16,6,15,4,26,24,17,8,19,7,14,3,27,23,22,9,11,20,10,13,18,21,2,28,30,12/E:(2,3)(10,11)(18,19)(29,30)/rA:31cCOCCCCCCCNCONCCCCNCCOCCCCCCOCOC/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;s27;s28;s23;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.33827 |
Area: | 650.851 |
Solvation: | -6.93301 |
Coulombic: | -50.5209 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.462 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.86 |
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 |
---|