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(E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile

Formula:C26H18N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile is a drug-like molecule.
MolName(E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile
MolecularFormulaC26H18N2O4S2
SmilesCOc(ccc(/C=C(/C(N1/C=C(/C(c2cc3ccccc3cc2)=O)\C#N)=O)\SC1=S)c1)c1OC
InChIInChI=1S/C26H18N2O4S2/c1-31-21-10-7-16(11-22(21)32-2)12-23-25(30)28(26(33)34-23)15-20(14-27)24(29)19-9-8-17-5-3-4-6-18(17)13-19/h3-13,15H,1-2H3
InChIKDIJOXUCFKHURBM-UHFFFAOYSA-N
TotalMolweight486.571
Molweight486.571
MonoisotopicMass486.070798
CLogP3.4714
CLogS-7.162
H Acceptors6
TotalSurfaceArea365.77
Relative PSA0.29713
PolarSurfaceArea137.02
Druglikeness-0.7751
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms6
Amides1
StereoCon

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