Menu

(2Z)-2-cyano-2-[(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide

Formula:C28H17N3O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (2Z)-2-cyano-2-[(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is not a drug-like molecule.
MolName(2Z)-2-cyano-2-[(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
MolecularFormulaC28H17N3O4Cl2S
SmilesN#C/C(/C(NCc1ccco1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChIInChI=1S/C28H17Cl2N3O4S/c29-21-9-4-10-22(30)25(21)23-12-11-18(37-23)14-24-27(35)33(17-6-2-1-3-7-17)28(38-24)20(15-31)26(34)32-16-19-8-5-13-36-19/h1-14H,16H2,(H,32,34)
InChIKFAJKETIEZONXJA-UHFFFAOYSA-N
TotalMolweight562.432
Molweight562.432
MonoisotopicMass561.031681
CLogP5.7635
CLogS-8.743
H Acceptors7
H Donors1
TotalSurfaceArea407.11
Relative PSA0.24652
PolarSurfaceArea124.78
Druglikeness1.5691
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolar activated DB; twice activated DB
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms5
Amides2
StereoCon

Request More Details | (2Z)-2-cyano-2-[(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide


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