Menu

4-chloro-N-[3-[(E)-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenyl]benzamide

Formula:C32H24N4O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-chloro-N-[3-[(E)-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenyl]benzamide is not a drug-like molecule.
MolName4-chloro-N-[3-[(E)-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenyl]benzamide
MolecularFormulaC32H24N4O3ClF3S
SmilesN#C/C(/C(N1CCCCC1)=O)=C(\N(C1=O)c2c(C(F)(F)F)cccc2)/S/C1=C/c1cccc(NC(c(cc2)ccc2Cl)=O)c1
InChIInChI=1S/C32H24ClF3N4O3S/c33-22-13-11-21(12-14-22)28(41)38-23-8-6-7-20(17-23)18-27-30(43)40(26-10-3-2-9-25(26)32(34,35)36)31(44-27)24(19-37)29(42)39-15-4-1-5-16-39/h2-3,6-14,17-18H,1,4-5,15-16H2,(H,38,41)
InChIKRVNDGOHLOAOFEK-UHFFFAOYSA-N
TotalMolweight637.081
Molweight637.081
MonoisotopicMass636.120972
CLogP7.0071
CLogS-8.426
H Acceptors7
H Donors1
TotalSurfaceArea451.6
Relative PSA0.19648
PolarSurfaceArea118.81
Druglikeness-7.3554
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolar activated DB; twice activated DB
Shape Index0.45455
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms7
Symmetricatoms6
Amides3
StereoCon

Request More Details | 4-chloro-N-[3-[(E)-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenyl]benzamide


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