Chemical ID: 5988812

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl
Chemical ID:
5988812
Name [?]:
(3,5-dichlorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O3/c1-28-18-6-2-4-13(10-18)19-24-20(29-25-19)14-5-3-7-26(12-14)21(27)15-8-16(22)11-17(23)9-15/h2,4,6,8-11,14H,3,5,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,16,6,15,4,17,23,27,8,25,19,7,14,22,24,26,3,9,11,20,29,28,10,13,18,21,2,12/E:(8,9)(16,17)(22,23)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.547
Area:657.453
Solvation:-3.88929
Coulombic:-37.5594
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:432.299
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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