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Chemical ID: 5989239
Chemical ID:
5989239
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C21H18ClF3N4O2/c22-16-5-1-3-14(11-16)18-27-19(31-28-18)13-7-9-29(10-8-13)20(30)26-17-6-2-4-15(12-17)21(23,24)25/h1-6,11-13H,7-10H2,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,24,2,25,6,23,14,18,15,17,4,27,13,3,26,5,22,8,10,19,28,7,29,30,31,21,9,12,16,20,11/E:(7,8)(9,10)(23,24,25)/rA:31nCCCCCCClCNCONCCCNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClF3N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8042 |
Area: | 649.592 |
Solvation: | -3.43559 |
Coulombic: | -61.7592 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 450.841 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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