Chemical ID: 5987972

c1cc(cc(c1)Cl)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5987972
Name [?]:
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3-chlorophenyl)-methanone
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C20H17BrClN3O2/c21-16-8-6-13(7-9-16)18-23-19(27-24-18)15-4-2-10-25(12-15)20(26)14-3-1-5-17(22)11-14/h1,3,5-9,11,15H,2,4,10,12H2
InChi Info:
AuxInfo=1/0/N:1,12,2,13,6,22,26,23,25,11,4,15,21,3,14,24,5,18,16,8,27,7,17,19,10,9,20/E:(6,7)(8,9)/rA:27cCCCCCCClCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17BrClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.9294
Area:612.543
Solvation:-2.38416
Coulombic:-31.723
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.725
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.37
LogP (Chemaxon):4.93

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Descriptor Annotations

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