Menu

N-(4-chlorophenyl)-2-[1-[3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide

Formula:C28H20N4O3ClFS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-chlorophenyl)-2-[1-[3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
MolNameN-(4-chlorophenyl)-2-[1-[3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide
MolecularFormulaC28H20N4O3ClFS3
SmilesO=C(CSc1nc(cccc2)c2n1C(CCN(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=S)=O)Nc(cc1)ccc1Cl
InChIInChI=1S/C28H20ClFN4O3S3/c29-18-7-11-20(12-8-18)31-24(35)16-39-27-32-21-3-1-2-4-22(21)34(27)25(36)13-14-33-26(37)23(40-28(33)38)15-17-5-9-19(30)10-6-17/h1-12,15H,13-14,16H2,(H,31,35)
InChIKPNZAFTPNWZZDJP-UHFFFAOYSA-N
TotalMolweight611.141
Molweight611.141
MonoisotopicMass610.037006
CLogP5.011
CLogS-7.507
H Acceptors7
H Donors1
TotalSurfaceArea432.3
Relative PSA0.31217
PolarSurfaceArea166.99
Druglikeness3.802
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.575
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms6
Symmetricatoms4
Amides2
Aromatic Nitrogens2
StereoCon

Request More Details | N-(4-chlorophenyl)-2-[1-[3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzimidazol-2-yl]sulfanylacetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments