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Chemical ID: 5989055
Chemical ID:
5989055
Name [?]:
4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C21H20F2N4O2/c1-13-3-2-4-15(11-13)19-25-20(29-26-19)14-7-9-27(10-8-14)21(28)24-18-6-5-16(22)12-17(18)23/h2-6,11-12,14H,7-10H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,24,23,14,18,15,17,7,26,2,13,6,25,27,22,8,10,19,29,28,21,9,12,16,20,11/E:(7,8)(9,10)/rA:29nCCCCCCCCNCONCCCNCCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;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: | 0 |
ZAP Information [?]
Total: | 11.2606 |
Area: | 603.379 |
Solvation: | -3.8239 |
Coulombic: | -50.0479 |
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: | 4.2 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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