(5E)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H15NO2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H15NO2S2 |
| Smiles | O=C(/C(/S1)=C\c2ccc(-c3ccccc3)o2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C21H15NO2S2/c23-20-19(26-21(25)22(20)14-15-7-3-1-4-8-15)13-17-11-12-18(24-17)16-9-5-2-6-10-16/h1-13H,14H2 |
| InChIK | APTDPNQUBMQRRL-UHFFFAOYSA-N |
| TotalMolweight | 377.487 |
| Molweight | 377.487 |
| MonoisotopicMass | 377.054419 |
| CLogP | 3.7541 |
| CLogS | -5.921 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.69 |
| Relative PSA | 0.26669 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 4.8494 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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