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Chemical ID: 5989215
Chemical ID:
5989215
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)NC4CCCCC4
InChi [?]:
InChI=1/C20H25ClN4O2/c21-15-8-6-7-14(13-15)18-23-19(27-24-18)17-11-4-5-12-25(17)20(26)22-16-9-2-1-3-10-16/h6-8,13,16-17H,1-5,9-12H2,(H,22,26)
InChi Info:
AuxInfo=1/1/N:25,24,26,15,16,1,2,6,23,27,14,17,4,3,5,22,13,8,10,19,7,21,9,12,18,20,11/E:(2,3)(9,10)/rA:27cCCCCCCClCNCONCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25ClN4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3347 |
Area: | 596.692 |
Solvation: | -2.58259 |
Coulombic: | -44.5304 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.891 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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