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Chemical ID: 5989219
Chemical ID:
5989219
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-14-7-5-6-13(12-14)18-24-19(28-25-18)17-10-3-4-11-26(17)20(27)23-16-9-2-1-8-15(16)22/h1-2,5-9,12,17H,3-4,10-11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:2,1,13,12,23,22,24,3,6,14,11,26,21,25,4,5,15,18,16,8,27,28,7,17,19,10,9,20/rA:28cCCCCCCNCONCCCCCCNCNOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClFN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5684 |
Area: | 587.143 |
Solvation: | -3.1102 |
Coulombic: | -48.6642 |
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: | 4.66 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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