Chemical ID: 5987987

Cc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5987987
Name [?]:
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(o-tolyl)methanone
SMILES [?]:
Cc1ccccc1C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C21H20BrN3O2/c1-14-6-2-3-7-17(14)21(26)25-13-5-4-8-18(25)20-23-19(24-27-20)15-9-11-16(22)12-10-15/h2-3,6-7,9-12,18H,4-5,8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,13,12,3,6,14,22,26,23,25,11,2,21,24,7,15,18,16,8,27,17,19,10,9,20/E:(9,10)(11,12)/rA:27cCCCCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20BrN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.6287
Area:570.893
Solvation:-2.64362
Coulombic:-31.9511
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.307
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.62
LogP (Chemaxon):5.14

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Descriptor Annotations

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