(5E)-5-benzylidene-3-[(4-phenoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H18N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-3-[(4-phenoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-benzylidene-3-[(4-phenoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N2O2S2 |
| Smiles | O=C(/C(/S1)=C\c2ccccc2)N(CNc(cc2)ccc2Oc2ccccc2)C1=S |
| InChI | InChI=1S/C23H18N2O2S2/c26-22-21(15-17-7-3-1-4-8-17)29-23(28)25(22)16-24-18-11-13-20(14-12-18)27-19-9-5-2-6-10-19/h1-15,24H,16H2 |
| InChIK | YLNSVOUMIGVBAO-UHFFFAOYSA-N |
| TotalMolweight | 418.54 |
| Molweight | 418.54 |
| MonoisotopicMass | 418.080968 |
| CLogP | 3.9541 |
| CLogS | -7.256 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.46 |
| Relative PSA | 0.26315 |
| PolarSurfaceArea | 98.96 |
| Druglikeness | 3.3078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-benzylidene-3-[(4-phenoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-benzylidene-3-[(4-phenoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
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