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Chemical ID: 6482685
Chemical ID:
6482685
Name [?]:
(2,6-difluorophenyl)-[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(c(c(c1)F)C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4)F
InChi [?]:
InChI=1/C19H16F2N4O2/c20-14-2-1-3-15(21)16(14)19(26)25-10-6-13(7-11-25)18-23-17(24-27-18)12-4-8-22-9-5-12/h1-5,8-9,13H,6-7,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,26,12,14,23,25,11,15,21,13,3,5,4,18,16,8,27,7,24,17,19,10,9,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(20,21)/rA:27nCCCCCCFCONCCCCCCNCNOCCCNCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16F2N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87809 |
Area: | 558.811 |
Solvation: | -5.09217 |
Coulombic: | -38.9076 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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