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STK338756,ZINC00917897,BAS 03609299, 3-[4-furan-2-yl-6-(trifluoromethy

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摘 要:STK338756,ZINC00917897,BAS 03609299, 3-[4-furan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propan-2-,ylpropanamide,Canonical SMILES: CC(C)NC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2,InChI: InChI=1/C15H16F3N3O2S/c1-9(2)19-13(22)5-7-24-14-20-10(11
[Synonyms]
STK338756
ZINC00917897
BAS 03609299

[Structure]
STK338756,ZINC00917897,BAS 03609299, 3-[4-furan-2-yl-6-(trifluoromethy

[ Properties Computed from Structure]
Molecular Weight359.36665 [g/mol]
Molecular FormulaC15H16F3N3O2S
XLogP2.5
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count2
Exact Mass359.091532
MonoIsotopic Mass359.091532
Topological Polar Surface Area68
Heavy Atom Count24
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[4-furan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-propan-2-
ylpropanamide
Canonical SMILES: CC(C)NC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2
InChI: InChI=1/C15H16F3N3O2S/c1-9(2)19-13(22)5-7-24-14-20-10(11-4-3-6-23-11)8-
12(21-14)15(16,17)18/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,22)/f/h19H

 
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