N-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
Formula:C20H16N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide |
| MolecularFormula | C20H16N2O2S2 |
| Smiles | O=C(Cc1ccccc1)NN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C20H16N2O2S2/c23-18(14-16-10-5-2-6-11-16)21-22-19(24)17(26-20(22)25)13-7-12-15-8-3-1-4-9-15/h1-13H,14H2,(H,21,23) |
| InChIK | VTSSPWXSHUNCDP-UHFFFAOYSA-N |
| TotalMolweight | 380.491 |
| Molweight | 380.491 |
| MonoisotopicMass | 380.065318 |
| CLogP | 2.1259 |
| CLogS | -4.961 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.95 |
| Relative PSA | 0.29656 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 4.1767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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