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Chemical ID: 5989222
Chemical ID:
5989222
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(cc4)Br
InChi [?]:
InChI=1/C20H18BrClN4O2/c21-14-7-9-16(10-8-14)23-20(27)26-11-2-1-6-17(26)19-24-18(25-28-19)13-4-3-5-15(22)12-13/h3-5,7-10,12,17H,1-2,6,11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,6,14,24,26,23,27,17,4,3,25,5,22,13,8,10,19,28,7,21,9,12,18,20,11/E:(7,8)(9,10)/rA:28cCCCCCCClCNCONCCCCCNCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18BrClN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5922 |
Area: | 616.635 |
Solvation: | -2.82372 |
Coulombic: | -44.1614 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 461.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.29 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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