(5E)-3-(2-phenoxyethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H19NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-phenoxyethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-phenoxyethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H19NO3S2 |
| Smiles | O=C(/C(/S1)=C\c2cc(Oc3ccccc3)ccc2)N(CCOc2ccccc2)C1=S |
| InChI | InChI=1S/C24H19NO3S2/c26-23-22(30-24(29)25(23)14-15-27-19-9-3-1-4-10-19)17-18-8-7-13-21(16-18)28-20-11-5-2-6-12-20/h1-13,16-17H,14-15H2 |
| InChIK | OPOOYZXOGHPQQF-UHFFFAOYSA-N |
| TotalMolweight | 433.551 |
| Molweight | 433.551 |
| MonoisotopicMass | 433.080634 |
| CLogP | 4.2177 |
| CLogS | -6.685 |
| H Acceptors | 4 |
| TotalSurfaceArea | 329.76 |
| Relative PSA | 0.24891 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 4.3036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(2-phenoxyethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(2-phenoxyethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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