(5E)-5-(naphthalen-1-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H17NO2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-(naphthalen-1-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(naphthalen-1-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H17NO2S2 |
| Smiles | O=C(/C(/S1)=C\c2cccc3ccccc23)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C19H17NO2S2/c21-18-17(24-19(23)20(18)12-15-8-4-10-22-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,11,15H,4,8,10,12H2/t15-/m1/s1 |
| InChIK | QVRVETVKJVEFIG-OAHLLOKOSA-N |
| TotalMolweight | 355.481 |
| Molweight | 355.481 |
| MonoisotopicMass | 355.070069 |
| CLogP | 2.8913 |
| CLogS | -5.429 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.36 |
| Relative PSA | 0.27579 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 2.7856 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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