(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C17H10N3O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C17H10N3O3FS2 |
| Smiles | O/C(/c(cc1)ccc1F)=C(/C(c1cccs1)N(C1=O)c2nncs2)\C1=O |
| InChI | InChI=1S/C17H10FN3O3S2/c18-10-5-3-9(4-6-10)14(22)12-13(11-2-1-7-25-11)21(16(24)15(12)23)17-20-19-8-26-17/h1-8,13,22H/b14-12-/t13-/m0/s1 |
| InChIK | HAYDKGKOULTLKT-BSHRGCEOSA-N |
| TotalMolweight | 387.414 |
| Molweight | 387.414 |
| MonoisotopicMass | 387.01476 |
| CLogP | 2.1919 |
| CLogS | -3.487 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.6 |
| Relative PSA | 0.40133 |
| PolarSurfaceArea | 139.87 |
| Druglikeness | 0.51611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 | 2 |
| StereoCon | racemate |
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1 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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