Chemical ID: 5989055

Cc1cccc(c1)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
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

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Descriptor Annotations

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