Chemical ID: 5988699

c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl)F
Chemical ID:
5988699
Name [?]:
(3,5-dichlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4cc(cc(c4)Cl)Cl)F
InChi [?]:
InChI=1/C20H16Cl2FN3O2/c21-15-8-14(9-16(22)10-15)20(27)26-7-1-2-13(11-26)19-24-18(25-28-19)12-3-5-17(23)6-4-12/h3-6,8-10,13H,1-2,7,11H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,2,4,15,21,25,23,17,6,12,20,22,24,3,7,9,18,27,26,28,8,11,16,19,10/E:(3,4)(5,6)(8,9)(15,16)(21,22)/rA:28cCCCCCCCNCONCCCCNCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s24;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.2352
Area:626.299
Solvation:-3.42224
Coulombic:-34.2406
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.36
LogP (Chemaxon):4.8

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