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N-[5-[2-[(2Z)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C25H19N5O3BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormulaC25H19N5O3BrFS
SmilesO=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c(cc(cc1)Br)c1OCc(cccc1)c1F
InChIInChI=1S/C25H19BrFN5O3S/c26-19-10-11-21(35-15-17-8-4-5-9-20(17)27)18(12-19)14-28-30-22(33)13-23-31-32-25(36-23)29-24(34)16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,30,33)(H,29,32,34)
InChIKBUOUYITUUBSNQJ-UHFFFAOYSA-N
TotalMolweight568.426
Molweight568.426
MonoisotopicMass567.037599
CLogP5.3643
CLogS-6.894
H Acceptors8
H Donors2
TotalSurfaceArea391.68
Relative PSA0.28802
PolarSurfaceArea133.81
Druglikeness3.0967
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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