Chemical ID: 5988400

c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl)Cl
Chemical ID:
5988400
Name [?]:
(2-chlorophenyl)-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-15-5-3-4-14(12-15)18-23-19(27-24-18)13-8-10-25(11-9-13)20(26)16-6-1-2-7-17(16)22/h1-7,12-13H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,6,3,11,13,10,14,25,12,20,24,5,4,17,15,7,26,27,16,18,9,8,19/E:(8,9)(10,11)/rA:27nCCCCCCCONCCCCCCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3213
Area:606.946
Solvation:-2.85236
Coulombic:-31.4162
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):4.51

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Descriptor Annotations

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