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2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

Formula:C27H19N4O3F3S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
MolName2-[1-[3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
MolecularFormulaC27H19N4O3F3S4
SmilesO=C(CSc1nc(cccc2)c2n1C(CCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)Nc1cc(C(F)(F)F)ccc1
InChIInChI=1S/C27H19F3N4O3S4/c28-27(29,30)16-5-3-6-17(13-16)31-22(35)15-40-25-32-19-8-1-2-9-20(19)34(25)23(36)10-11-33-24(37)21(41-26(33)38)14-18-7-4-12-39-18/h1-9,12-14H,10-11,15H2,(H,31,35)
InChIKDYGVNICADDEXOK-UHFFFAOYSA-N
TotalMolweight632.731
Molweight632.731
MonoisotopicMass632.029205
CLogP5.0191
CLogS-7.245
H Acceptors7
H Donors1
TotalSurfaceArea435.93
Relative PSA0.35627
PolarSurfaceArea195.23
Druglikeness-1.6162
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms7
Symmetricatoms2
Amides2
Aromatic Nitrogens2
StereoCon

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