Chemical ID: 5988661

c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4Br
Chemical ID:
5988661
Name [?]:
(2-bromophenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4Br
InChi [?]:
InChI=1/C20H18BrN3O2/c21-17-9-5-4-8-16(17)20(25)24-12-10-15(11-13-24)19-22-18(23-26-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,13,17,14,16,4,12,20,25,7,9,18,26,8,11,15,19,10/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCNCONCCCNCCCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18BrN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5753
Area:571.419
Solvation:-2.71018
Coulombic:-31.3814
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.28
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.75
LogP (Chemaxon):4.27

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Descriptor Annotations

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