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N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

Formula:C26H21N5O4BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
MolecularFormulaC26H21N5O4BrFS
SmilesO=C(Cc1nnc(NC(c(cccc2)c2F)=O)s1)N/N=C\c(cc1)ccc1OCCOc(cc1)ccc1Br
InChIInChI=1S/C26H21BrFN5O4S/c27-18-7-11-20(12-8-18)37-14-13-36-19-9-5-17(6-10-19)16-29-31-23(34)15-24-32-33-26(38-24)30-25(35)21-3-1-2-4-22(21)28/h1-12,16H,13-15H2,(H,31,34)(H,30,33,35)
InChIKCLEYKIKVYGQGMV-UHFFFAOYSA-N
TotalMolweight598.452
Molweight598.452
MonoisotopicMass597.048164
CLogP5.3712
CLogS-6.821
H Acceptors9
H Donors2
TotalSurfaceArea415.44
Relative PSA0.29561
PolarSurfaceArea143.04
Druglikeness-3.7833
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71053
Fragments1
Non HAtoms38
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms4
Amides1
Aromatic Nitrogens2
StereoCon

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