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1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea

Formula:C32H30N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea is not a drug-like molecule.
MolName1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea
MolecularFormulaC32H30N6O6
SmilesO=C(Nc1ccccc1)N/N=C/c(cc1)ccc1OC1OCCOC1Oc1ccc(/C=N\NC(Nc2ccccc2)=O)cc1
InChIInChI=1S/C32H30N6O6/c39-31(35-25-7-3-1-4-8-25)37-33-21-23-11-15-27(16-12-23)43-29-30(42-20-19-41-29)44-28-17-13-24(14-18-28)22-34-38-32(40)36-26-9-5-2-6-10-26/h1-18,21-22,29-30H,19-20H2,(H2,35,37,39)(H2,36,38,40)
InChIKOZKLUQOFQLAQCL-UHFFFAOYSA-N
TotalMolweight594.626
Molweight594.626
MonoisotopicMass594.222684
CLogP5.9856
CLogS-8.156
H Acceptors12
H Donors4
TotalSurfaceArea462.42
Relative PSA0.29181
PolarSurfaceArea143.9
Druglikeness-3.2864
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.68182
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
StereoCenters2
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms8
Amides2
StereoConunknown chirality

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