Chemical ID: 3952354

c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
Chemical ID:
3952354
Name [?]:
2-phenyl-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
InChi [?]:
InChI=1/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,3,5,22,12,14,11,15,24,7,4,13,21,8,18,16,17,19,10,9,20,25/E:(2,3)(5,6)(8,9)(10,11)/rA:25nCCCCCCCCONCCCCCCNCNOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0732
Area:574.686
Solvation:-3.29398
Coulombic:-29.1431
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.439
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.79
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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