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

Formula:C32H26N8O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-3-benzyl-4-[(E)-[3-benzyl-5-(3-nitroanilino)-2-oxo-1,3-thiazolidin-4-ylidene]hydrazinylidene]-5-(3-nitroanilino)-1,3-thiazolidin-2-one is not a drug-like molecule.
MolName(4E)-3-benzyl-4-[(E)-[3-benzyl-5-(3-nitroanilino)-2-oxo-1,3-thiazolidin-4-ylidene]hydrazinylidene]-5-(3-nitroanilino)-1,3-thiazolidin-2-one
MolecularFormulaC32H26N8O6S2
Smiles[O-][N+](c1cccc(NC(/C(/N2Cc3ccccc3)=N\N=C(/C(Nc3cc([N+]([O-])=O)ccc3)S3)\N(Cc4ccccc4)C3=O)SC2=O)c1)=O
InChIInChI=1S/C32H26N8O6S2/c41-31-37(19-21-9-3-1-4-10-21)27(29(47-31)33-23-13-7-15-25(17-23)39(43)44)35-36-28-30(34-24-14-8-16-26(18-24)40(45)46)48-32(42)38(28)20-22-11-5-2-6-12-22/h1-18,29-30,33-34H,19-20H2
InChIKDPKONTSMEWBPLF-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 Index0.375
Fragments1
Non HAtoms48
NonCHAtoms16
Electronegative Atoms16
StereoCenters2
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms26
Amides2
AcidicOxygens2
StereoConunknown chirality

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