Menu

(2Z)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide

Formula:C29H17N3O3BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high (2Z)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide is not a drug-like molecule.
MolName(2Z)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide
MolecularFormulaC29H17N3O3BrClS
SmilesN#C/C(/C(Nc1cc(Cl)ccc1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c1ccc(-c(cc2)ccc2Br)o1
InChIInChI=1S/C29H17BrClN3O3S/c30-19-11-9-18(10-12-19)25-14-13-23(37-25)16-26-28(36)34(22-7-2-1-3-8-22)29(38-26)24(17-32)27(35)33-21-6-4-5-20(31)15-21/h1-16H,(H,33,35)
InChIKQNNSAICOBXRVCC-UHFFFAOYSA-N
TotalMolweight602.895
Molweight602.895
MonoisotopicMass600.98625
CLogP6.9846
CLogS-9.343
H Acceptors6
H Donors1
TotalSurfaceArea406.87
Relative PSA0.21198
PolarSurfaceArea111.64
Druglikeness-0.3144
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionspolar activated DB; twice activated DB
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms1
Symmetricatoms4
Amides2
StereoCon

Request More Details | (2Z)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide


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