ChemDB: Chemical Search
Download
Chemical ID: 5988280
Chemical ID:
5988280
Name [?]:
(2-methoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-16-12-10-15(11-13-16)20-23-21(29-24-20)18-8-5-6-14-25(18)22(26)17-7-3-4-9-19(17)28-2/h3-4,7,9-13,18H,5-6,8,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,16,17,23,15,26,5,7,4,8,18,6,3,22,14,27,9,11,20,10,13,19,21,2,28,12/E:(10,11)(12,13)/rA:29cCOCCCCCCCNCONCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.58603 |
Area: | 594.461 |
Solvation: | -6.2755 |
Coulombic: | -43.7691 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.38 |
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 |
---|