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Chemical ID: 4806682
Chemical ID:
4806682
Name [?]:
(4-methyl-1-piperidyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]phenyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)c3ccccc3C(=O)N4CCC(CC4)C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-7-9-17(10-8-15)20-23-21(27-24-20)18-5-3-4-6-19(18)22(26)25-13-11-16(2)12-14-25/h3-10,16H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,16,14,17,3,7,4,6,23,25,22,26,2,24,5,13,18,8,10,19,9,12,21,20,11/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCONCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s22;s23;s24;s21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5709 |
Area: | 572.026 |
Solvation: | -2.72978 |
Coulombic: | -31.8381 |
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: | 5.46 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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