(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C26H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C26H19N3O4S |
| Smiles | O/C(/c1ccncc1)=C(\C(c1cc(OCc2ccccc2)ccc1)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C26H19N3O4S/c30-23(18-9-11-27-12-10-18)21-22(29(25(32)24(21)31)26-28-13-14-34-26)19-7-4-8-20(15-19)33-16-17-5-2-1-3-6-17/h1-15,22,30H,16H2/t22-/m1/s1 |
| InChIK | POHYBSUQTNXCRC-JOCHJYFZSA-N |
| TotalMolweight | 469.52 |
| Molweight | 469.52 |
| MonoisotopicMass | 469.109627 |
| CLogP | 3.4068 |
| CLogS | -4.272 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 343.83 |
| Relative PSA | 0.27639 |
| PolarSurfaceArea | 120.86 |
| Druglikeness | -0.014362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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