N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxybenzamide
Formula:C17H12N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxybenzamide |
| MolecularFormula | C17H12N2O4S2 |
| Smiles | Oc1cccc(C(NN(C(/C(/S2)=C/C=C/c3ccco3)=O)C2=S)=O)c1 |
| InChI | InChI=1S/C17H12N2O4S2/c20-12-5-1-4-11(10-12)15(21)18-19-16(22)14(25-17(19)24)8-2-6-13-7-3-9-23-13/h1-10,20H,(H,18,21) |
| InChIK | WWQJOIUJXZFZSD-UHFFFAOYSA-N |
| TotalMolweight | 372.424 |
| Molweight | 372.424 |
| MonoisotopicMass | 372.023848 |
| CLogP | 0.9708 |
| CLogS | -4.382 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.23 |
| Relative PSA | 0.41494 |
| PolarSurfaceArea | 140.17 |
| Druglikeness | 3.8453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxybenzamide | 2 - N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxybenzamide
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