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1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[4-[[(Z)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea

Formula:C20H20N8Cl4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[4-[[(Z)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea is not a drug-like molecule.
MolName1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-[4-[[(Z)-(2,4-dichlorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
MolecularFormulaC20H20N8Cl4S2
SmilesS=C(NN(CC1)CCN1NC(N/N=C\c(ccc(Cl)c1)c1Cl)=S)N/N=C\c(ccc(Cl)c1)c1Cl
InChIInChI=1S/C20H20Cl4N8S2/c21-15-3-1-13(17(23)9-15)11-25-27-19(33)29-31-5-7-32(8-6-31)30-20(34)28-26-12-14-2-4-16(22)10-18(14)24/h1-4,9-12H,5-8H2,(H2,27,29,33)(H2,28,30,34)
InChIKRTKJNDHDNPOUJI-UHFFFAOYSA-N
TotalMolweight578.379
Molweight578.379
MonoisotopicMass576.00064
CLogP4.0852
CLogS-7.798
H Acceptors8
H Donors4
TotalSurfaceArea417.62
Relative PSA0.31598
PolarSurfaceArea143.5
Druglikeness4.9823
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.70588
Fragments1
Non HAtoms34
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms18
StereoCon

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