Chemical ID: 4193268

c1ccc(c(c1)C(F)(F)F)NC(=S)NC(=O)c2ccco2
Chemical ID:
4193268
Name [?]:
N-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=S)NC(=O)c2ccco2
InChi [?]:
InChI=1/C13H9F3N2O2S/c14-13(15,16)8-4-1-2-5-9(8)17-12(21)18-11(19)10-6-3-7-20-10/h1-7H,(H2,17,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,6,3,18,20,5,4,17,15,12,7,8,9,10,11,14,16,21,13/E:(14,15,16)/rA:21nCCCCCCCFFFNCSNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9F3N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.54196
Area:457.575
Solvation:-2.89742
Coulombic:-61.1995
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.284
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):3.39

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