Chemical ID: 5988562

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)Cl)Cl
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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