Chemical ID: 5989024

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(cc4F)F
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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