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Chemical ID: 7097892
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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