(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C19H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C19H13N3O4S |
| Smiles | O/C(/c1ccncc1)=C(\C(c(cc1)ccc1O)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C19H13N3O4S/c23-13-3-1-11(2-4-13)15-14(16(24)12-5-7-20-8-6-12)17(25)18(26)22(15)19-21-9-10-27-19/h1-10,15,23-24H/t15-/m1/s1 |
| InChIK | OKAIAEYJRASFKN-OAHLLOKOSA-N |
| TotalMolweight | 379.395 |
| Molweight | 379.395 |
| MonoisotopicMass | 379.062677 |
| CLogP | 1.713 |
| CLogS | -2.635 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 266.66 |
| Relative PSA | 0.368 |
| PolarSurfaceArea | 131.86 |
| Druglikeness | 0.18215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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