(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16N2O2S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\C=C\c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C22H16N2O2S/c25-21-20(15-7-13-19-14-8-16-26-19)27-22(23-17-9-3-1-4-10-17)24(21)18-11-5-2-6-12-18/h1-16H |
| InChIK | QFWVLKOFFGZNPG-UHFFFAOYSA-N |
| TotalMolweight | 372.447 |
| Molweight | 372.447 |
| MonoisotopicMass | 372.093248 |
| CLogP | 4.5233 |
| CLogS | -5.844 |
| H Acceptors | 4 |
| TotalSurfaceArea | 288.69 |
| Relative PSA | 0.2068 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | 3.2216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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