Chemical ID: 5988280

COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4OC
Chemical ID:
5988280
Name [?]:
(2-methoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-16-12-10-15(11-13-16)20-23-21(29-24-20)18-8-5-6-14-25(18)22(26)17-7-3-4-9-19(17)28-2/h3-4,7,9-13,18H,5-6,8,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,16,17,23,15,26,5,7,4,8,18,6,3,22,14,27,9,11,20,10,13,19,21,2,28,12/E:(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;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.58603
Area:594.461
Solvation:-6.2755
Coulombic:-43.7691
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

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