Chemical ID: 5989364

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4Cl)Cl
Chemical ID:
5989364
Name [?]:
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N4O2/c21-15-8-9-17(16(22)11-15)23-20(27)26-10-4-7-14(12-26)19-24-18(25-28-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,23,22,15,25,17,4,12,24,26,21,7,9,18,28,27,20,8,11,16,19,10/E:(2,3)(5,6)/rA:28cCCCCCCCNCONCCCCNCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.6437
Area:633.882
Solvation:-2.20331
Coulombic:-44.8218
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.288
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):4.41

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