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Chemical ID: 5989245
Chemical ID:
5989245
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)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C20H17ClF2N4O2/c21-14-3-1-2-13(10-14)18-25-19(29-26-18)12-6-8-27(9-7-12)20(28)24-17-5-4-15(22)11-16(17)23/h1-5,10-12H,6-9H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,23,14,18,15,17,4,26,13,3,5,25,27,22,8,10,19,7,29,28,21,9,12,16,20,11/E:(6,7)(8,9)/rA:29nCCCCCCClCNCONCCCNCCCONCCCCCCFF/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;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClF2N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6005 |
Area: | 616.896 |
Solvation: | -3.82191 |
Coulombic: | -50.1761 |
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): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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