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Chemical ID: 6482688
Chemical ID:
6482688
Name [?]:
4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)NC(=O)N2CCC(CC2)c3nc(no3)c4ccncc4)C(F)(F)F
InChi [?]:
InChI=1/C20H18F3N5O2/c21-20(22,23)15-2-1-3-16(12-15)25-19(29)28-10-6-14(7-11-28)18-26-17(27-30-18)13-4-8-24-9-5-13/h1-5,8-9,12,14H,6-7,10-11H2,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,26,12,14,23,25,11,15,4,21,13,3,5,18,16,8,27,28,29,30,24,7,17,19,10,9,20/E:(4,5)(6,7)(8,9)(10,11)(21,22,23)/rA:30nCCCCCCNCONCCCCCCNCNOCCCNCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s3;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18F3N5O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3052 |
Area: | 613.119 |
Solvation: | -4.02278 |
Coulombic: | -64.3786 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.45 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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