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Chemical ID: 5988906
Chemical ID:
5988906
Name [?]:
(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C23H25N3O3/c1-3-16-7-9-18(10-8-16)23(27)26-13-11-17(12-14-26)22-24-21(25-29-22)19-5-4-6-20(15-19)28-2/h4-10,15,17H,3,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,24,23,25,4,8,5,7,13,15,12,16,27,3,14,6,22,26,19,17,9,18,20,11,10,28,21/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9136 |
Area: | 636.052 |
Solvation: | -3.98768 |
Coulombic: | -37.9324 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.463 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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