Chemical ID: 5996670

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccccc4Br
Chemical ID:
5996670
Name [?]:
(2-bromophenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccccc4Br
InChi [?]:
InChI=1/C20H18BrN3O2/c1-13-8-10-14(11-9-13)18-22-19(26-23-18)17-7-4-12-24(17)20(25)15-5-2-3-6-16(15)21/h2-3,5-6,8-11,17H,4,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,15,21,24,14,3,7,4,6,16,2,5,20,25,13,8,10,18,26,9,12,17,19,11/E:(8,9)(10,11)/rA:26cCCCCCCCCNCONCCCCNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18BrN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.4374
Area:565.523
Solvation:-2.70067
Coulombic:-31.8636
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:5.26
LogP (Chemaxon):4.75

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Descriptor Annotations

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