(5E)-3-[2-(4-chlorophenyl)ethyl]-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H16NOClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-3-[2-(4-chlorophenyl)ethyl]-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-[2-(4-chlorophenyl)ethyl]-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16NOClS2 |
| Smiles | O=C(/C(/S1)=C\c2cccc3ccccc23)N(CCc(cc2)ccc2Cl)C1=S |
| InChI | InChI=1S/C22H16ClNOS2/c23-18-10-8-15(9-11-18)12-13-24-21(25)20(27-22(24)26)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,14H,12-13H2 |
| InChIK | VTCBTYPPTMKZGA-UHFFFAOYSA-N |
| TotalMolweight | 409.96 |
| Molweight | 409.96 |
| MonoisotopicMass | 409.036181 |
| CLogP | 5.0457 |
| CLogS | -6.915 |
| H Acceptors | 2 |
| TotalSurfaceArea | 300.02 |
| Relative PSA | 0.20692 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 4.204 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[2-(4-chlorophenyl)ethyl]-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-[2-(4-chlorophenyl)ethyl]-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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