Chemical ID: 7097892

Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(c(c(c4)OC)OC)OC
Chemical ID:
7097892
Name [?]:
[3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H27N3O5/c1-15-7-9-16(10-8-15)22-25-23(32-26-22)17-6-5-11-27(14-17)24(28)18-12-19(29-2)21(31-4)20(13-18)30-3/h7-10,12-13,17H,5-6,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,15,14,3,7,4,6,16,26,22,18,2,5,13,21,25,23,24,8,10,19,9,12,17,20,27,31,29,11/E:(2,3)(7,8)(9,10)(12,13)(19,20)(29,30)/rA:32cCCCCCCCCNCONCCCCNCCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O5
All Atoms:59
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.0274
Area:673.513
Solvation:-6.81042
Coulombic:-50.905
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:437.488
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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