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2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Formula:C25H20N3O4F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
MolName2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
MolecularFormulaC25H20N3O4F3S2
SmilesO=C(CN(c(cccc1)c1/C1=C(\C(N2CC3OCCC3)=O)/SC2=S)C1=O)Nc1cc(C(F)(F)F)ccc1
InChIInChI=1S/C25H20F3N3O4S2/c26-25(27,28)14-5-3-6-15(11-14)29-19(32)13-30-18-9-2-1-8-17(18)20(22(30)33)21-23(34)31(24(36)37-21)12-16-7-4-10-35-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,29,32)/t16-/m1/s1
InChIKVMQHYGYWHNLFQA-MRXNPFEDSA-N
TotalMolweight547.577
Molweight547.577
MonoisotopicMass547.084731
CLogP2.095
CLogS-5.468
H Acceptors7
H Donors1
TotalSurfaceArea371.71
Relative PSA0.30446
PolarSurfaceArea136.34
Druglikeness-3.3011
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms2
Amides3
StereoConracemate

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