Chemical ID: 5989260

CCc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5989260
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-ethylphenyl)-piperidine-1-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H23ClN4O2/c1-2-15-6-3-4-9-19(15)24-22(28)27-12-10-16(11-13-27)21-25-20(26-29-21)17-7-5-8-18(23)14-17/h3-9,14,16H,2,10-13H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,25,4,24,26,7,14,16,13,17,28,3,15,23,27,8,20,18,10,29,9,19,21,12,11,22/E:(10,11)(12,13)/rA:29nCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3676
Area:642.603
Solvation:-2.69751
Coulombic:-44.1061
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):4.61

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