Chemical ID: 5988671

c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4Cl)Cl)F
Chemical ID:
5988671
Name [?]:
(2,4-dichlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)c4ccc(cc4Cl)Cl)F
InChi [?]:
InChI=1/C20H16Cl2FN3O2/c21-14-5-8-16(17(22)10-14)20(27)26-9-1-2-13(11-26)19-24-18(25-28-19)12-3-6-15(23)7-4-12/h3-8,10,13H,1-2,9,11H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,22,2,4,21,15,24,17,6,12,23,3,20,25,7,9,18,27,26,28,8,11,16,19,10/E:(3,4)(6,7)/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;s25;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7885
Area:615.76
Solvation:-3.6055
Coulombic:-34.1792
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

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Descriptor Annotations

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