Chemical ID: 3952434

Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)C
Chemical ID:
3952434
Name [?]:
m-tolyl-[3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-8-10-17(11-9-15)20-23-21(27-24-20)19-7-4-12-25(14-19)22(26)18-6-3-5-16(2)13-18/h3,5-6,8-11,13,19H,4,7,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,23,15,24,22,14,3,7,4,6,16,26,18,2,25,5,21,13,8,10,19,9,12,17,20,11/E:(8,9)(10,11)/rA:27cCCCCCCCCNCONCCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.5132
Area:594.709
Solvation:-2.35453
Coulombic:-31.7569
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):4.55

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Descriptor Annotations

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