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Chemical ID: 5995048
Chemical ID:
5995048
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(c(c4)F)F)Cl
InChi [?]:
InChI=1/C20H17ClF2N4O2/c21-14-5-3-12(4-6-14)18-25-19(29-26-18)13-2-1-9-27(11-13)20(28)24-15-7-8-16(22)17(23)10-15/h3-8,10,13H,1-2,9,11H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:14,13,1,5,2,4,22,23,15,26,17,6,12,3,21,24,25,7,9,18,29,28,27,20,8,11,16,19,10/E:(3,4)(5,6)/rA:29cCCCCCCCNCONCCCCNCCONCCCCCCFFCl/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;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClF2N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3159 |
Area: | 620.149 |
Solvation: | -4.18787 |
Coulombic: | -50.1335 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 418.824 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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