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[3-benzoyloxy-4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C32H24N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-benzoyloxy-4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
MolName[3-benzoyloxy-4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC32H24N4O6S
SmilesN#Cc1c(NC(C(N/N=C\c(ccc(OC(c2ccccc2)=O)c2)c2OC(c2ccccc2)=O)=O)=O)sc2c1CCCC2
InChIInChI=1S/C32H24N4O6S/c33-18-25-24-13-7-8-14-27(24)43-30(25)35-28(37)29(38)36-34-19-22-15-16-23(41-31(39)20-9-3-1-4-10-20)17-26(22)42-32(40)21-11-5-2-6-12-21/h1-6,9-12,15-17,19H,7-8,13-14H2,(H,35,37)(H,36,38)
InChIKIDSJIOWDAJMBGQ-UHFFFAOYSA-N
TotalMolweight592.631
Molweight592.631
MonoisotopicMass592.141656
CLogP6.0535
CLogS-8.49
H Acceptors10
H Donors2
TotalSurfaceArea450.41
Relative PSA0.31196
PolarSurfaceArea175.19
Druglikeness-4.4796
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Amides1
StereoCon

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