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

Formula:C22H16N4OBrFS3 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC22H16N4OBrFS3
SmilesO=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c(cc(cc1)Br)c1F
InChIInChI=1S/C22H16BrFN4OS3/c23-17-8-9-19(24)16(10-17)11-25-26-20(29)13-31-22-28-27-21(32-22)30-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,26,29)
InChIKNXDDDKUMNSYITQ-UHFFFAOYSA-N
TotalMolweight547.496
Molweight547.496
MonoisotopicMass545.96536
CLogP6.4334
CLogS-9.094
H Acceptors5
H Donors1
TotalSurfaceArea362.29
Relative PSA0.31271
PolarSurfaceArea146.08
Druglikeness2.0023
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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