N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C17H11N2O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C17H11N2O2FS2 |
| Smiles | O=C(c1ccccc1)NN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S |
| InChI | InChI=1S/C17H11FN2O2S2/c18-13-8-6-11(7-9-13)10-14-16(22)20(17(23)24-14)19-15(21)12-4-2-1-3-5-12/h1-10H,(H,19,21) |
| InChIK | MADLWADDXPOECX-UHFFFAOYSA-N |
| TotalMolweight | 358.416 |
| Molweight | 358.416 |
| MonoisotopicMass | 358.024596 |
| CLogP | 1.572 |
| CLogS | -4.998 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 258.04 |
| Relative PSA | 0.33553 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 2.6158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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