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2-[(5E)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Formula:C27H20N3O6ClS4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5E)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate is not a drug-like molecule.
MolName2-[(5E)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
MolecularFormulaC27H20N3O6ClS4
Smiles[O-][N+](c1ccc(/C=C(/C=C(\C(N2CCOC(CCN(C(/C(/S3)=C/c4ccccc4)=O)C3=S)=O)=O)/SC2=S)\Cl)cc1)=O
InChIInChI=1S/C27H20ClN3O6S4/c28-19(14-18-6-8-20(9-7-18)31(35)36)16-22-25(34)30(27(39)41-22)12-13-37-23(32)10-11-29-24(33)21(40-26(29)38)15-17-4-2-1-3-5-17/h1-9,14-16H,10-13H2
InChIKRMCFDEBHSAKZIS-UHFFFAOYSA-N
TotalMolweight646.188
Molweight646.188
MonoisotopicMass644.992344
CLogP2.8385
CLogS-7.528
H Acceptors9
TotalSurfaceArea458.53
Relative PSA0.38737
PolarSurfaceArea227.52
Druglikeness-0.90308
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsallyl/benzyl chloride; aromatic nitro
Shape Index0.63415
Fragments1
Non HAtoms41
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms4
Amides2
AcidicOxygens1
StereoCon

Request More Details | 2-[(5E)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate


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