2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
Formula:C17H13N2O3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C17H13N2O3ClS2 |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)NCc1ccco1 |
| InChI | InChI=1S/C17H13ClN2O3S2/c18-12-5-3-11(4-6-12)8-14-16(22)20(17(24)25-14)10-15(21)19-9-13-2-1-7-23-13/h1-8H,9-10H2,(H,19,21) |
| InChIK | RZQDOPLBOZXXGD-UHFFFAOYSA-N |
| TotalMolweight | 392.886 |
| Molweight | 392.886 |
| MonoisotopicMass | 392.00561 |
| CLogP | 1.6936 |
| CLogS | -4.646 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.32 |
| Relative PSA | 0.35414 |
| PolarSurfaceArea | 119.94 |
| Druglikeness | 4.8111 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide | 2 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
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