Chemical ID: 5988160

Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4Cl)Cl
Chemical ID:
5988160
Name [?]:
(2,4-dichlorophenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O2/c1-13-5-7-14(8-6-13)19-24-20(28-25-19)18-4-2-3-11-26(18)21(27)16-10-9-15(22)12-17(16)23/h5-10,12,18H,2-4,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,3,7,4,6,23,22,17,25,2,5,24,21,26,13,8,10,19,28,27,9,12,18,20,11/E:(5,6)(7,8)/rA:28cCCCCCCCCNCONCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.9497
Area:602.199
Solvation:-3.10526
Coulombic:-31.4482
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:6.07
LogP (Chemaxon):5.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue