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2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

Formula:C26H24N4O2Br2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is not a drug-like molecule.
MolName2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
MolecularFormulaC26H24N4O2Br2S2
SmilesO=C(CSCc(cccc1)c1Br)N/N=C\c1ccc(/C=N\NC(CSCc(cccc2)c2Br)=O)cc1
InChIInChI=1S/C26H24Br2N4O2S2/c27-23-7-3-1-5-21(23)15-35-17-25(33)31-29-13-19-9-11-20(12-10-19)14-30-32-26(34)18-36-16-22-6-2-4-8-24(22)28/h1-14H,15-18H2,(H,31,33)(H,32,34)
InChIKFQYAVIGTTBMDMM-UHFFFAOYSA-N
TotalMolweight648.443
Molweight648.443
MonoisotopicMass645.970738
CLogP6.5732
CLogS-9.066
H Acceptors6
H Donors2
TotalSurfaceArea428
Relative PSA0.25
PolarSurfaceArea133.52
Druglikeness2.8785
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72222
Fragments1
Non HAtoms36
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond12
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms6
Symmetricatoms19
StereoCon

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