Chemical ID: 4735951

CC(=O)c1csc(n1)c2ccc(cc2)OC(F)(F)F
Chemical ID:
4735951
Name [?]:
1-[2-[4-(trifluoromethoxy)phenyl]thiazol-4-yl]ethanone
SMILES [?]:
CC(=O)c1csc(n1)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C12H8F3NO2S/c1-7(17)10-6-19-11(16-10)8-2-4-9(5-3-8)18-12(13,14)15/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,11,13,5,2,9,12,4,7,16,17,18,19,8,3,15,6/E:(2,3)(4,5)(13,14,15)/rA:19nCCOCCSCNCCCCCCOCFFF/rB:s1;d2;s2;d4;s5;s6;s4d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8F3NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.76489
Area:431.553
Solvation:-2.02393
Coulombic:-47.0455
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.259
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.46
LogP (Chemaxon):3.05

Name Annotations

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Descriptor Annotations

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