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

Formula:C18H13N4OCl2FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC18H13N4OCl2FS3
SmilesO=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c(c(F)ccc1)c1Cl
InChIInChI=1S/C18H13Cl2FN4OS3/c19-13-5-2-1-4-11(13)9-27-17-24-25-18(29-17)28-10-16(26)23-22-8-12-14(20)6-3-7-15(12)21/h1-8H,9-10H2,(H,23,26)
InChIKTYSYXUSWGIWJFD-UHFFFAOYSA-N
TotalMolweight487.43
Molweight487.43
MonoisotopicMass485.961253
CLogP5.7258
CLogS-8.126
H Acceptors5
H Donors1
TotalSurfaceArea339.9
Relative PSA0.3333
PolarSurfaceArea146.08
Druglikeness3.81
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65517
Fragments1
Non HAtoms29
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Aromatic Nitrogens2
StereoCon

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