methyl (2S)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Formula:C14H12NO3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
methyl (2S)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate is a drug-like molecule.
| MolName | methyl (2S)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate |
| MolecularFormula | C14H12NO3FS2 |
| Smiles | C[C@@H](C(OC)=O)N(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S |
| InChI | InChI=1S/C14H12FNO3S2/c1-8(13(18)19-2)16-12(17)11(21-14(16)20)7-9-3-5-10(15)6-4-9/h3-8H,1-2H3/t8-/m0/s1 |
| InChIK | LTAWYSYWKNOPCK-QMMMGPOBSA-N |
| TotalMolweight | 325.383 |
| Molweight | 325.383 |
| MonoisotopicMass | 325.024262 |
| CLogP | 1.4151 |
| CLogS | -3.733 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.84 |
| Relative PSA | 0.36401 |
| PolarSurfaceArea | 104 |
| Druglikeness | -1.8922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - methyl (2S)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate | 2 - methyl (2S)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
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