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N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Formula:C22H16N4OClFS3 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC22H16N4OClFS3
SmilesO=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c(c(F)ccc1)c1Cl
InChIInChI=1S/C22H16ClFN4OS3/c23-18-9-4-10-19(24)17(18)11-25-26-20(29)13-31-22-28-27-21(32-22)30-12-15-7-3-6-14-5-1-2-8-16(14)15/h1-11H,12-13H2,(H,26,29)
InChIKMUPPWVSJVACJLV-UHFFFAOYSA-N
TotalMolweight503.045
Molweight503.045
MonoisotopicMass502.015876
CLogP6.3142
CLogS-8.996
H Acceptors5
H Donors1
TotalSurfaceArea359.08
Relative PSA0.3155
PolarSurfaceArea146.08
Druglikeness3.81
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Aromatic Nitrogens2
StereoCon

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