Chemical ID: 5989400

c1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(c(c4)Cl)F
Chemical ID:
5989400
Name [?]:
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(c(c4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-15-12-14(9-10-16(15)22)23-20(27)26-11-5-4-8-17(26)19-24-18(25-28-19)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,22,23,16,26,4,21,25,24,12,7,9,18,27,28,20,8,11,17,19,10/E:(2,3)(6,7)/rA:28cCCCCCCCNCONCCCCCNCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClFN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.0897
Area:591.108
Solvation:-3.68803
Coulombic:-47.4552
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.834
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.94

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