Chemical ID: 5988473

c1ccc(c(c1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl)Cl
Chemical ID:
5988473
Name [?]:
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-14-10-8-13(9-11-14)18-23-19(27-24-18)17-7-3-4-12-25(17)20(26)15-5-1-2-6-16(15)22/h1-2,5-6,8-11,17H,3-4,7,12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,21,25,22,24,10,20,23,5,4,14,17,15,7,26,27,16,18,9,8,19/E:(8,9)(10,11)/rA:27cCCCCCCCONCCCCCCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.3572
Area:578.095
Solvation:-3.0952
Coulombic:-31.7302
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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