Chemical ID: 5988269

COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4cc(cc(c4)OC)OC
Chemical ID:
5988269
Name [?]:
(3,5-dimethoxyphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4cc(cc(c4)OC)OC
InChi [?]:
InChI=1/C23H25N3O5/c1-28-17-9-7-15(8-10-17)21-24-22(31-25-21)20-6-4-5-11-26(20)23(27)16-12-18(29-2)14-19(13-16)30-3/h7-10,12-14,20H,4-6,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,31,16,17,15,5,7,4,8,18,27,23,25,6,22,3,26,24,14,9,11,20,10,13,19,21,2,28,30,12/E:(2,3)(7,8)(9,10)(12,13)(18,19)(29,30)/rA:31cCOCCCCCCCNCONCCCCCNCOCCCCCCOCOC/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;s26;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.13561
Area:636.72
Solvation:-6.78238
Coulombic:-50.1041
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:4.13
LogP (Chemaxon):3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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