Chemical ID: 5988966

c1cc(cc(c1)F)NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5988966
Name [?]:
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C20H18BrFN4O2/c21-15-6-4-13(5-7-15)18-24-19(28-25-18)14-8-10-26(11-9-14)20(27)23-17-3-1-2-16(22)12-17/h1-7,12,14H,8-11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,6,2,23,27,24,26,13,15,12,16,4,22,14,25,5,3,19,17,9,28,7,8,18,20,11,10,21/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCFNCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18BrFN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7001
Area:607.913
Solvation:-3.4977
Coulombic:-46.562
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:445.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.4
LogP (Chemaxon):4.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue