N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide

Formula:C18H11N2O3Cl3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.

MolNameN-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide
MolecularFormulaC18H11N2O3Cl3S2
SmilesO=C(COc(ccc(Cl)c1)c1Cl)NN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S
InChIInChI=1S/C18H11Cl3N2O3S2/c19-11-5-6-14(13(21)8-11)26-9-16(24)22-23-17(25)15(28-18(23)27)7-10-3-1-2-4-12(10)20/h1-8H,9H2,(H,22,24)
InChIKNRXXPTZJFSWHCP-UHFFFAOYSA-N
TotalMolweight473.787
Molweight473.787
MonoisotopicMass471.927664
CLogP2.8641
CLogS-6.672
H Acceptors5
H Donors1
TotalSurfaceArea321.71
Relative PSA0.30021
PolarSurfaceArea116.03
Druglikeness3.9767
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.60714
Fragments1
Non HAtoms28
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
StereoCon

Request More Details | N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide


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