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(4E)-3-benzyl-4-[(E)-[3-benzyl-5-(4-nitroanilino)-2-oxo-1,3-thiazolidin-4-ylidene]hydrazinylidene]-5-(4-nitroanilino)-1,3-thiazolidin-2-one

Formula:C32H26N8O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-3-benzyl-4-[(E)-[3-benzyl-5-(4-nitroanilino)-2-oxo-1,3-thiazolidin-4-ylidene]hydrazinylidene]-5-(4-nitroanilino)-1,3-thiazolidin-2-one is not a drug-like molecule.
MolName(4E)-3-benzyl-4-[(E)-[3-benzyl-5-(4-nitroanilino)-2-oxo-1,3-thiazolidin-4-ylidene]hydrazinylidene]-5-(4-nitroanilino)-1,3-thiazolidin-2-one
MolecularFormulaC32H26N8O6S2
Smiles[O-][N+](c(cc1)ccc1NC(/C(/N1Cc2ccccc2)=N\N=C(/C(Nc(cc2)ccc2[N+]([O-])=O)S2)\N(Cc3ccccc3)C2=O)SC1=O)=O
InChIInChI=1S/C32H26N8O6S2/c41-31-37(19-21-7-3-1-4-8-21)27(29(47-31)33-23-11-15-25(16-12-23)39(43)44)35-36-28-30(34-24-13-17-26(18-14-24)40(45)46)48-32(42)38(28)20-22-9-5-2-6-10-22/h1-18,29-30,33-34H,19-20H2
InChIKAMIZYDBACOLYBU-UHFFFAOYSA-N
TotalMolweight682.74
Molweight682.74
MonoisotopicMass682.141672
CLogP5.7496
CLogS-7.992
H Acceptors14
H Donors2
TotalSurfaceArea485.34
Relative PSA0.36045
PolarSurfaceArea231.64
Druglikeness-0.42688
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine
Shape Index0.41667
Fragments1
Non HAtoms48
NonCHAtoms16
Electronegative Atoms16
StereoCenters2
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms28
Amides2
AcidicOxygens2
StereoConunknown chirality

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