Chemical ID: 5989514

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F
Chemical ID:
5989514
Name [?]:
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C23H20F6N4O3/c1-35-18-6-2-4-13(8-18)19-31-20(36-32-19)14-5-3-7-33(12-14)21(34)30-17-10-15(22(24,25)26)9-16(11-17)23(27,28)29/h2,4,6,8-11,14H,3,5,7,12H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,5,16,6,15,4,17,8,26,24,28,19,7,14,25,27,23,3,9,11,20,33,29,34,35,36,30,31,32,22,10,13,18,21,2,12/E:(10,11)(15,16)(22,23)(24,25,26,27,28,29)/rA:36cCOCCCCCCCNCONCCCCNCCONCCCCCCCFFFCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s25;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20F6N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.7148
Area:695.248
Solvation:-5.66643
Coulombic:-85.1984
Bond Count [?]
All:39
Single:30
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:514.42
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.21
LogP (Chemaxon):5.54

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