Chemical ID: 5988860

COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4OC
Chemical ID:
5988860
Name [?]:
(2-methoxyphenyl)-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-16-9-7-8-15(14-16)20-23-21(29-24-20)18-11-5-6-13-25(18)22(26)17-10-3-4-12-19(17)28-2/h3-4,7-10,12,14,18H,5-6,11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,16,17,5,6,4,23,15,26,18,8,7,3,22,14,27,9,11,20,10,13,19,21,2,28,12/rA:29cCOCCCCCCCNCONCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:8.48038
Area:595.094
Solvation:-6.39697
Coulombic:-43.5944
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

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Experimental Annotations

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Descriptor Annotations

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