Chemical ID: 7097908

COc1cccc(c1)C(=O)N2CCCC(C2)c3nc(no3)c4cc(c(c(c4)OC)OC)OC
Chemical ID:
7097908
Name [?]:
(3-methoxyphenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)C(=O)N2CCCC(C2)c3nc(no3)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H27N3O6/c1-29-18-9-5-7-15(11-18)24(28)27-10-6-8-16(14-27)23-25-22(26-33-23)17-12-19(30-2)21(32-4)20(13-17)31-3/h5,7,9,11-13,16H,6,8,10,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,33,31,5,13,6,14,4,12,8,27,23,16,7,15,22,3,26,24,25,19,17,9,18,20,11,10,2,28,32,30,21/E:(2,3)(12,13)(19,20)(30,31)/rA:33cCOCCCCCCCONCCCCCCNCNOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O6
All Atoms:60
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.16691
Area:691.378
Solvation:-8.11753
Coulombic:-57.3852
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:453.488
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.21
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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