Chemical ID: 5987944

c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4)F)Br
Chemical ID:
5987944
Name [?]:
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-fluorophenyl)-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4)F)Br
InChi [?]:
InChI=1/C20H17BrFN3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,21,25,2,4,22,24,15,17,6,20,12,3,23,7,9,18,27,26,8,11,16,19,10/E:(3,4)(5,6)(7,8)(9,10)/rA:27cCCCCCCCNCONCCCCNCCOCCCCCCFBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17BrFN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.3965
Area:587.667
Solvation:-3.29521
Coulombic:-34.4546
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.91
LogP (Chemaxon):4.55

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Descriptor Annotations

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