Chemical ID: 5989030

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)Nc4ccc(cc4)OC
Chemical ID:
5989030
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(cc4)OC
InChi [?]:
InChI=1/C22H24N4O3/c1-15-6-5-7-16(14-15)20-24-21(29-25-20)19-8-3-4-13-26(19)22(27)23-17-9-11-18(28-2)12-10-17/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,29,15,16,4,3,5,14,23,27,24,26,17,7,2,6,22,25,13,8,10,19,21,9,12,18,20,28,11/E:(9,10)(11,12)/rA:29cCCCCCCCCNCONCCCCCNCONCCCCCCOC/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;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.923
Area:610.06
Solvation:-4.32847
Coulombic:-50.2638
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.451
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):4.5

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Descriptor Annotations

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