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Chemical ID: 5989024
Chemical ID:
5989024
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(cc4F)F
InChi [?]:
InChI=1/C21H20F2N4O2/c1-13-5-4-6-14(11-13)19-25-20(29-26-19)18-7-2-3-10-27(18)21(28)24-17-9-8-15(22)12-16(17)23/h4-6,8-9,11-12,18H,2-3,7,10H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,15,16,4,3,5,14,24,23,17,7,26,2,6,25,27,22,13,8,10,19,29,28,21,9,12,18,20,11/rA:29cCCCCCCCCNCONCCCCCNCONCCCCCCFF/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: | C21H20F2N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5908 |
Area: | 581.733 |
Solvation: | -3.95256 |
Coulombic: | -50.6544 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 398.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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