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Chemical ID: 5989433
Chemical ID:
5989433
Name [?]:
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-bis[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(c(c4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-16-12-15(6-7-17(16)22)23-20(27)26-10-8-14(9-11-26)19-24-18(25-28-19)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,23,13,17,14,16,26,4,12,21,25,24,7,9,18,27,28,20,8,11,15,19,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28nCCCCCCCNCONCCCNCCCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s15;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: | 0 |
ZAP Information [?]
Total: | 11.7097 |
Area: | 609.394 |
Solvation: | -3.52516 |
Coulombic: | -46.8017 |
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: | 4.22 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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