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Chemical ID: 5988562
Chemical ID:
5988562
Name [?]:
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-16-9-8-14(11-17(16)22)20(26)25-10-4-7-15(12-25)19-23-18(24-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,21,22,15,25,17,4,20,12,23,24,7,9,18,27,26,8,11,16,19,10/E:(2,3)(5,6)/rA:27cCCCCCCCNCONCCCCNCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7811 |
Area: | 612.035 |
Solvation: | -2.51977 |
Coulombic: | -31.9041 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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