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Chemical ID: 5988363
Chemical ID:
5988363
Name [?]:
(4-chlorophenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-15-9-7-13(8-10-15)20(26)25-11-2-1-6-17(25)19-23-18(24-27-19)14-4-3-5-16(22)12-14/h3-5,7-10,12,17H,1-2,6,11H2
InChi Info:
AuxInfo=1/0/N:15,16,1,2,6,14,22,26,23,25,17,4,21,3,24,5,13,8,10,19,27,7,9,12,18,20,11/E:(7,8)(9,10)/rA:27cCCCCCCClCNCONCCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0522 |
Area: | 597.326 |
Solvation: | -2.88097 |
Coulombic: | -32.0517 |
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: | 5.63 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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