Chemical ID: 5988363

c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)Cl
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

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Descriptor Annotations

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