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Chemical ID: 5988997
Chemical ID:
5988997
Name [?]:
3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C21H20Cl2N4O2/c1-13-4-2-5-14(10-13)19-25-20(29-26-19)15-6-3-9-27(12-15)21(28)24-18-8-7-16(22)11-17(18)23/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,4,15,3,5,14,24,23,16,7,26,18,2,6,13,25,27,22,8,10,19,29,28,21,9,12,17,20,11/rA:29cCCCCCCCCNCONCCCCNCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20Cl2N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.1069 |
Area: | 652.54 |
Solvation: | -2.20659 |
Coulombic: | -44.5866 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 431.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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