Menu

[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C28H18N3O4Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC28H18N3O4Cl3S
SmilesO=C(c(cc1)ccc1Cl)Oc1cc(OC(c(cc2)ccc2Cl)=O)c(/C=N\NC(Nc2cccc(Cl)c2)=S)cc1
InChIInChI=1S/C28H18Cl3N3O4S/c29-20-9-4-17(5-10-20)26(35)37-24-13-8-19(16-32-34-28(39)33-23-3-1-2-22(31)14-23)25(15-24)38-27(36)18-6-11-21(30)12-7-18/h1-16H,(H2,33,34,39)
InChIKUZWDLILVUXKSRO-UHFFFAOYSA-N
TotalMolweight598.893
Molweight598.893
MonoisotopicMass597.008358
CLogP8.2712
CLogS-9.469
H Acceptors7
H Donors2
TotalSurfaceArea434.69
Relative PSA0.24963
PolarSurfaceArea121.11
Druglikeness2.0847
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.51282
Fragments1
Non HAtoms39
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms4
StereoCon

Request More Details | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate


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