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N-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C19H15N3O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.
MolNameN-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC19H15N3O4S3
Smiles[O-][N+](c1ccc(/C=C(/C(N2NC(c3csc4c3CCCC4)=O)=O)\SC2=S)cc1)=O
InChIInChI=1S/C19H15N3O4S3/c23-17(14-10-28-15-4-2-1-3-13(14)15)20-21-18(24)16(29-19(21)27)9-11-5-7-12(8-6-11)22(25)26/h5-10H,1-4H2,(H,20,23)
InChIKYMTUSCPVSVIYKW-UHFFFAOYSA-N
TotalMolweight445.543
Molweight445.543
MonoisotopicMass445.022467
CLogP1.573
CLogS-6.246
H Acceptors7
H Donors1
TotalSurfaceArea312.84
Relative PSA0.43907
PolarSurfaceArea180.86
Druglikeness-5.0728
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.58621
Fragments1
Non HAtoms29
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms7
Symmetricatoms2
AcidicOxygens1
StereoCon

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