(4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C26H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C26H18N2O4S |
| Smiles | O/C(/c1ccccc1)=C(\[C@H](c1cc(Oc2ccccc2)ccc1)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C26H18N2O4S/c29-23(17-8-3-1-4-9-17)21-22(28(25(31)24(21)30)26-27-14-15-33-26)18-10-7-13-20(16-18)32-19-11-5-2-6-12-19/h1-16,22,29H/t22-/m0/s1 |
| InChIK | BYWUCYSUHLEXII-QFIPXVFZSA-N |
| TotalMolweight | 454.505 |
| Molweight | 454.505 |
| MonoisotopicMass | 454.098728 |
| CLogP | 4.4552 |
| CLogS | -6.023 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.31 |
| Relative PSA | 0.25372 |
| PolarSurfaceArea | 107.97 |
| Druglikeness | 0.1526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E,5S)-4-[hydroxy(phenyl)methylidene]-5-(3-phenoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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