Chemical ID: 5989215

c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)NC4CCCCC4
Chemical ID:
5989215
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C20H25ClN4O2/c21-15-8-6-7-14(13-15)18-23-19(27-24-18)17-11-4-5-12-25(17)20(26)22-16-9-2-1-3-10-16/h6-8,13,16-17H,1-5,9-12H2,(H,22,26)
InChi Info:
AuxInfo=1/1/N:25,24,26,15,16,1,2,6,23,27,14,17,4,3,5,22,13,8,10,19,7,21,9,12,18,20,11/E:(2,3)(9,10)/rA:27cCCCCCCClCNCONCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25ClN4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.3347
Area:596.692
Solvation:-2.58259
Coulombic:-44.5304
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.891
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.23

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