Chemical ID: 7097815

CCCCCCC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
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

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Descriptor Annotations

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