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4-[(Z)-(4-chlorophenyl)methylideneamino]-3-[4-[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]-1H-1,2,4-triazole-5-thione

Formula:C22H20N8Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4-chlorophenyl)methylideneamino]-3-[4-[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.
MolName4-[(Z)-(4-chlorophenyl)methylideneamino]-3-[4-[4-[(Z)-(4-chlorophenyl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]butyl]-1H-1,2,4-triazole-5-thione
MolecularFormulaC22H20N8Cl2S2
SmilesS=C(NN=C1CCCCC(N2/N=C\c(cc3)ccc3Cl)=NNC2=S)N1/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C22H20Cl2N8S2/c23-17-9-5-15(6-10-17)13-25-31-19(27-29-21(31)33)3-1-2-4-20-28-30-22(34)32(20)26-14-16-7-11-18(24)12-8-16/h5-14H,1-4H2,(H,29,33)(H,30,34)
InChIKQBFGQYFWJMYSQR-UHFFFAOYSA-N
TotalMolweight531.495
Molweight531.495
MonoisotopicMass530.062936
CLogP5.8054
CLogS-8.13
H Acceptors8
H Donors2
TotalSurfaceArea396.3
Relative PSA0.33323
PolarSurfaceArea144.16
Druglikeness-1.5856
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.64706
Fragments1
Non HAtoms34
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms19
StereoCon

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