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[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C31H19N5O6Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC31H19N5O6Cl2S
SmilesO=C(C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C31H19Cl2N5O6S/c32-22-11-6-19(7-12-22)29(41)43-24-15-10-21(25(16-24)44-30(42)20-8-13-23(33)14-9-20)17-34-36-27(40)26(39)35-31-38-37-28(45-31)18-4-2-1-3-5-18/h1-17H,(H,36,40)(H,35,38,39)
InChIKRJOISTALVBAHFQ-UHFFFAOYSA-N
TotalMolweight660.493
Molweight660.493
MonoisotopicMass659.043309
CLogP6.8849
CLogS-8.441
H Acceptors11
H Donors2
TotalSurfaceArea475.28
Relative PSA0.31327
PolarSurfaceArea177.18
Druglikeness4.8849
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.53333
Fragments1
Non HAtoms45
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond11
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms2
Symmetricatoms6
Amides1
Aromatic Nitrogens2
StereoCon

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