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Chemical ID: 5988253
Chemical ID:
5988253
Name [?]:
(4-methoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-17-10-6-15(7-11-17)20-23-21(29-24-20)19-5-3-4-14-25(19)22(26)16-8-12-18(28-2)13-9-16/h6-13,19H,3-5,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,16,17,15,5,7,23,27,4,8,24,26,18,6,22,3,25,14,9,11,20,10,13,19,21,2,28,12/E:(6,7)(8,9)(10,11)(12,13)/rA:29cCOCCCCCCCNCONCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.58675 |
Area: | 602.822 |
Solvation: | -5.48381 |
Coulombic: | -44.3432 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.38 |
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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