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Chemical ID: 5989030
Chemical ID:
5989030
Name [?]:
2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C22H24N4O3/c1-15-6-5-7-16(14-15)20-24-21(29-25-20)19-8-3-4-13-26(19)22(27)23-17-9-11-18(28-2)12-10-17/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,29,15,16,4,3,5,14,23,27,24,26,17,7,2,6,22,25,13,8,10,19,21,9,12,18,20,28,11/E:(9,10)(11,12)/rA:29cCCCCCCCCNCONCCCCCNCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.923 |
Area: | 610.06 |
Solvation: | -4.32847 |
Coulombic: | -50.2638 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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