Chemical ID: 5987977

c1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5987977
Name [?]:
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C20H18BrN3O2/c21-16-11-9-14(10-12-16)18-22-19(26-23-18)17-8-4-5-13-24(17)20(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,21,25,22,24,10,20,4,23,14,17,15,7,26,16,18,9,8,19/E:(2,3)(6,7)(9,10)(11,12)/rA:26cCCCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18BrN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.1091
Area:553.255
Solvation:-2.72222
Coulombic:-32.0142
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:5.18
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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