Chemical ID: 7097818

Cc1cc(cc(c1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F)C
Chemical ID:
7097818
Name [?]:
(3,5-dimethylphenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cc(cc(c1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F)C
InChi [?]:
InChI=1/C22H22FN3O2/c1-14-10-15(2)12-18(11-14)22(27)26-9-3-4-17(13-26)21-24-20(25-28-21)16-5-7-19(23)8-6-16/h5-8,10-12,17H,3-4,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,12,13,22,26,23,25,11,3,7,5,15,2,4,21,14,6,24,18,16,8,27,17,19,10,9,20/E:(1,2)(5,6)(7,8)(11,12)(14,15)/rA:28cCCCCCCCCONCCCCCCNCNOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22FN3O2
All Atoms:50
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7717
Area:601.142
Solvation:-3.25682
Coulombic:-34.4358
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.427
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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