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Chemical ID: 5989364
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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