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Chemical ID: 5995020
Chemical ID:
5995020
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(cc4C)C
InChi [?]:
InChI=1/C23H26N4O2/c1-15-7-6-8-18(14-15)21-25-22(29-26-21)20-9-4-5-12-27(20)23(28)24-19-11-10-16(2)13-17(19)3/h6-8,10-11,13-14,20H,4-5,9,12H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,15,16,4,3,5,14,24,23,17,26,7,2,25,27,6,22,13,8,10,19,21,9,12,18,20,11/rA:29cCCCCCCCCNCONCCCCCNCONCCCCCCCC/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;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3349 |
Area: | 609.738 |
Solvation: | -2.90854 |
Coulombic: | -43.9398 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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