Chemical ID: 5988055

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
5988055
Name [?]:
(3,4-dichlorophenyl)-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O2/c1-13-4-2-5-14(10-13)19-24-20(28-25-19)16-6-3-9-26(12-16)21(27)15-7-8-17(22)18(23)11-15/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,15,3,5,14,22,23,16,7,26,18,2,6,21,13,24,25,8,10,19,28,27,9,12,17,20,11/rA:28cCCCCCCCCNCONCCCCNCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.3028
Area:633.006
Solvation:-2.52235
Coulombic:-31.6687
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.3
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.63
LogP (Chemaxon):5.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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