Chemical ID: 7097854

COc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
Chemical ID:
7097854
Name [?]:
(3-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-18-10-8-15(9-11-18)20-23-21(29-24-20)17-6-4-12-25(14-17)22(26)16-5-3-7-19(13-16)28-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,16,23,15,25,5,7,4,8,17,27,19,6,22,14,3,26,9,11,20,10,13,18,21,2,28,12/E:(8,9)(10,11)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O4
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.4888
Area:625.675
Solvation:-5.1531
Coulombic:-44.1517
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:3.78
LogP (Chemaxon):3.11

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Descriptor Annotations

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