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N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Formula:C20H16N6O2Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(4-chlorophenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC20H16N6O2Cl2S3
SmilesO=C(CSc1nnc(SCC(N/N=C\c(cc2)ccc2Cl)=O)s1)N/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C20H16Cl2N6O2S3/c21-15-5-1-13(2-6-15)9-23-25-17(29)11-31-19-27-28-20(33-19)32-12-18(30)26-24-10-14-3-7-16(22)8-4-14/h1-10H,11-12H2,(H,25,29)(H,26,30)
InChIKLNQGVHWOJWVAMH-UHFFFAOYSA-N
TotalMolweight539.491
Molweight539.491
MonoisotopicMass537.987388
CLogP5.4184
CLogS-8.03
H Acceptors8
H Donors2
TotalSurfaceArea387.52
Relative PSA0.38527
PolarSurfaceArea187.54
Druglikeness5.15
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.75758
Fragments1
Non HAtoms33
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms18
Aromatic Nitrogens2
StereoCon

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