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Chemical ID: 5901026
Chemical ID:
5901026
Name [?]:
6-amino-1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-hexan-1-one
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCCCCN
InChi [?]:
InChI=1/C20H28N4O3/c1-26-16-11-9-15(10-12-16)19-22-20(27-23-19)17-7-4-6-14-24(17)18(25)8-3-2-5-13-21/h9-12,17H,2-8,13-14,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,16,25,17,15,22,5,7,4,8,26,18,6,3,14,20,9,11,27,10,13,19,21,2,12/E:(9,10)(11,12)/rA:27cCOCCCCCCCNCONCCCCCNCOCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N4O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7944 |
Area: | 616.251 |
Solvation: | -4.61183 |
Coulombic: | -47.5243 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 372.461 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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