Chemical ID: 5988206

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4C
Chemical ID:
5988206
Name [?]:
o-tolyl-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-7-9-17(10-8-15)20-23-21(27-24-20)18-11-13-25(14-12-18)22(26)19-6-4-3-5-16(19)2/h3-10,18H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,25,22,3,7,4,6,14,18,15,17,2,26,5,13,21,8,10,19,9,12,16,20,11/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1324
Area:586.519
Solvation:-2.5306
Coulombic:-31.5461
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.437
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):4.41

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Experimental Annotations

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Descriptor Annotations

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