Chemical ID: 5988372

c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)COc4ccc(cc4)Cl
Chemical ID:
5988372
Name [?]:
2-(4-chlorophenoxy)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O3/c22-15-7-9-17(10-8-15)28-13-19(27)26-11-2-1-6-18(26)21-24-20(25-29-21)14-4-3-5-16(23)12-14/h3-5,7-10,12,18H,1-2,6,11,13H2
InChi Info:
AuxInfo=1/0/N:15,16,1,2,6,14,25,27,24,28,17,4,21,3,26,5,23,13,19,8,10,29,7,9,12,18,20,22,11/E:(7,8)(9,10)/rA:29cCCCCCCClCNCONCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.1195
Area:647.089
Solvation:-5.05771
Coulombic:-37.5306
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:432.299
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):4.69

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Descriptor Annotations

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