Chemical ID: 5988301

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4cc(cc(c4)OC)OC
Chemical ID:
5988301
Name [?]:
(3,5-dimethoxyphenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-18-6-4-15(5-7-18)21-24-22(31-25-21)16-8-10-26(11-9-16)23(27)17-12-19(29-2)14-20(13-17)30-3/h4-7,12-14,16H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,31,5,7,4,8,15,19,16,18,27,23,25,6,14,22,3,26,24,9,11,20,10,13,17,21,2,28,30,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(19,20)(29,30)/rA:31nCOCCCCCCCNCONCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.87713
Area:656.566
Solvation:-6.53702
Coulombic:-49.6947
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.462
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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