Chemical ID: 5988405

Cc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5988405
Name [?]:
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-5-7-16(8-6-14)21(26)25-11-9-15(10-12-25)20-23-19(24-27-20)17-3-2-4-18(22)13-17/h2-8,13,15H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,3,7,4,6,12,14,11,15,26,2,13,5,21,25,18,16,8,27,17,19,10,9,20/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5354
Area:606.325
Solvation:-2.62273
Coulombic:-31.4952
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.855
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.01
LogP (Chemaxon):4.46

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Descriptor Annotations

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