Chemical ID: 5988401

c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)Cl
Chemical ID:
5988401
Name [?]:
(4-chlorophenyl)-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-16-6-4-14(5-7-16)20(26)25-10-8-13(9-11-25)19-23-18(24-27-19)15-2-1-3-17(22)12-15/h1-7,12-13H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,26,23,25,14,18,15,17,4,13,21,3,24,5,8,10,19,27,7,9,12,16,20,11/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCClCNCONCCCNCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.8049
Area:618.231
Solvation:-2.6509
Coulombic:-31.6662
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

Name Annotations

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Descriptor Annotations

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