ChemDB: Chemical Search
Download
Chemical ID: 7097815
Chemical ID:
7097815
Name [?]:
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one
SMILES [?]:
CCCCCCC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H26FN3O2/c1-2-3-4-5-8-18(25)24-13-6-7-16(14-24)20-22-19(23-26-20)15-9-11-17(21)12-10-15/h9-12,16H,2-8,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,11,12,6,21,25,22,24,10,14,20,13,23,7,17,15,26,16,18,9,8,19/E:(9,10)(11,12)/rA:26cCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26FN3O2 |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8398 |
Area: | 607.582 |
Solvation: | -3.34975 |
Coulombic: | -32.738 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.24 |
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 |
---|