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Chemical ID: 5988170
Chemical ID:
5988170
Name [?]:
2-phenoxy-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)COc4ccccc4
InChi [?]:
InChI=1/C22H23N3O3/c1-16-10-12-17(13-11-16)21-23-22(28-24-21)19-9-5-6-14-25(19)20(26)15-27-18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,16,24,28,14,3,7,4,6,17,21,2,5,23,13,19,8,10,9,12,18,20,22,11/E:(3,4)(7,8)(10,11)(12,13)/rA:28cCCCCCCCCNCONCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.80376 |
Area: | 596.284 |
Solvation: | -5.10333 |
Coulombic: | -37.4342 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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