Chemical ID: 5995048

c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(c(c4)F)F)Cl
Chemical ID:
5995048
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(c(c4)F)F)Cl
InChi [?]:
InChI=1/C20H17ClF2N4O2/c21-14-5-3-12(4-6-14)18-25-19(29-26-18)13-2-1-9-27(11-13)20(28)24-15-7-8-16(22)17(23)10-15/h3-8,10,13H,1-2,9,11H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:14,13,1,5,2,4,22,23,15,26,17,6,12,3,21,24,25,7,9,18,29,28,27,20,8,11,16,19,10/E:(3,4)(5,6)/rA:29cCCCCCCCNCONCCCCNCCONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClF2N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3159
Area:620.149
Solvation:-4.18787
Coulombic:-50.1335
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:418.824
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.82

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