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N-[5-[2-[(2Z)-2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

Formula:C27H20N6O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
MolecularFormulaC27H20N6O2ClFS
SmilesO=C(Cc1nnc(NC(c(cccc2)c2F)=O)s1)N/N=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2
InChIInChI=1S/C27H20ClFN6O2S/c28-19-11-9-17(10-12-19)15-35-16-18(20-5-2-4-8-23(20)35)14-30-32-24(36)13-25-33-34-27(38-25)31-26(37)21-6-1-3-7-22(21)29/h1-12,14,16H,13,15H2,(H,32,36)(H,31,34,37)
InChIKZSGJROQALKBVFY-UHFFFAOYSA-N
TotalMolweight547.013
Molweight547.013
MonoisotopicMass546.104099
CLogP5.4267
CLogS-6.433
H Acceptors8
H Donors2
TotalSurfaceArea402.27
Relative PSA0.27265
PolarSurfaceArea129.51
Druglikeness6.6784
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.60526
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoCon

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