Chemical ID: 4233846

COC(=O)C1=C(SCC1=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4233846
Name [?]:
methyl 4-oxo-2-[3-(trifluoromethyl)phenyl]amino-thiophene-3-carboxylate
SMILES [?]:
COC(=O)C1=C(SCC1=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H10F3NO3S/c1-20-12(19)10-9(18)6-21-11(10)17-8-4-2-3-7(5-8)13(14,15)16/h2-5,17H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,17,8,16,12,9,5,6,3,18,19,20,21,11,10,4,2,7/E:(14,15,16)/rA:21nCOCOCCSCCONCCCCCCCFFF/rB:s1;s2;d3;s3;d5;s6;s7;s5s8;d9;s6;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10F3NO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.47603
Area:453.044
Solvation:-3.85007
Coulombic:-55.9635
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.285
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):3.08

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