Chemical ID: 4692989

CSc1nc(cc(n1)Oc2cccc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
4692989
Name [?]:
2-methylsulfanyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]-pyrimidine
SMILES [?]:
CSc1nc(cc(n1)Oc2cccc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C13H8F6N2OS/c1-23-11-20-9(13(17,18)19)6-10(21-11)22-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,15,6,14,10,5,7,3,16,20,17,18,19,21,22,23,4,8,9,2/E:(14,15,16)(17,18,19)/rA:23nCSCNCCCNOCCCCCCCFFFCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s5;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8F6N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.59184
Area:473.091
Solvation:-3.23544
Coulombic:-57.9498
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.272
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.71
LogP (Chemaxon):5.54

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