(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C18H11N2O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C18H11N2O3FS2 |
| Smiles | O/C(/c(cc1)ccc1F)=C(/C(c1cccs1)N(C1=O)c2nccs2)\C1=O |
| InChI | InChI=1S/C18H11FN2O3S2/c19-11-5-3-10(4-6-11)15(22)13-14(12-2-1-8-25-12)21(17(24)16(13)23)18-20-7-9-26-18/h1-9,14,22H/b15-13-/t14-/m0/s1 |
| InChIK | WTCJHGHWWGVGPY-RHIYTYFCSA-N |
| TotalMolweight | 386.426 |
| Molweight | 386.426 |
| MonoisotopicMass | 386.019511 |
| CLogP | 3.027 |
| CLogS | -4.05 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.84 |
| Relative PSA | 0.35787 |
| PolarSurfaceArea | 126.98 |
| Druglikeness | 0.13505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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