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2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

Formula:C29H26N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
MolName2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormulaC29H26N3O4BrS
SmilesO=C(CN(Cc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cccc1)c1OCc1ccccc1
InChIInChI=1S/C29H26BrN3O4S/c30-26-15-17-27(18-16-26)38(35,36)33(20-23-9-3-1-4-10-23)21-29(34)32-31-19-25-13-7-8-14-28(25)37-22-24-11-5-2-6-12-24/h1-19H,20-22H2,(H,32,34)
InChIKQMMHEQOUPSRZAH-UHFFFAOYSA-N
TotalMolweight592.512
Molweight592.512
MonoisotopicMass591.082738
CLogP5.5565
CLogS-6.12
H Acceptors7
H Donors1
TotalSurfaceArea415.3
Relative PSA0.18815
PolarSurfaceArea96.45
Druglikeness0.40547
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms7
Amides1
StereoCon

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