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Chemical ID: 5989449
Chemical ID:
5989449
Name [?]:
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)F
InChi [?]:
InChI=1/C22H17F7N4O2/c23-16-5-3-12(4-6-16)18-31-19(35-32-18)13-2-1-7-33(11-13)20(34)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h3-6,8-10,13H,1-2,7,11H2,(H,30,34)
InChi Info:
AuxInfo=1/1/N:14,13,1,5,2,4,15,24,22,26,17,6,12,23,25,3,21,7,9,18,31,27,35,32,33,34,28,29,30,20,8,11,16,19,10/E:(3,4)(5,6)(9,10)(14,15)(21,22)(24,25,26,27,28,29)/rA:35cCCCCCCCNCONCCCCNCCONCCCCCCCFFFCFFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s23;s31;s31;s31;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17F7N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3879 |
Area: | 665.906 |
Solvation: | -5.2597 |
Coulombic: | -81.8628 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 502.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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