Chemical ID: 5988025

c1cc(cc(c1)Br)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5988025
Name [?]:
(3-bromophenyl)-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Br)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C20H17Br2N3O2/c21-16-6-4-13(5-7-16)18-23-19(27-24-18)14-8-10-25(11-9-14)20(26)15-2-1-3-17(22)12-15/h1-7,12,14H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,26,23,25,12,14,11,15,4,21,13,3,24,5,18,16,8,27,7,17,19,10,9,20/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCBrCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Br2N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6447
Area:608.649
Solvation:-2.57149
Coulombic:-31.1165
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:491.176
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.55
LogP (Chemaxon):5.06

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Descriptor Annotations

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