Chemical ID: 7688789

COc1ccc(cc1)CNc2nc(cc(n2)C(F)(F)F)c3cccc(c3)OC
Chemical ID:
7688789
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CNc2nc(cc(n2)C(F)(F)F)c3cccc(c3)OC
InChi [?]:
InChI=1/C20H18F3N3O2/c1-27-15-8-6-13(7-9-15)12-24-19-25-17(11-18(26-19)20(21,22)23)14-4-3-5-16(10-14)28-2/h3-11H,12H2,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,23,22,24,5,7,4,8,26,14,9,6,21,3,25,13,15,11,17,18,19,20,10,12,16,2,27/E:(6,7)(8,9)(21,22,23)/rA:28nCOCCCCCCCNCNCCCNCFFFCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s13;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18F3N3O2
All Atoms:46
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.7592
Area:598.81
Solvation:-5.21106
Coulombic:-58.4353
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.69
LogP (Chemaxon):None

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Descriptor Annotations

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