Chemical ID: 5901026

COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCCCCN
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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Descriptor Annotations

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