(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C20H12N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C20H12N2O3Cl2S |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1Cl)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C20H12Cl2N2O3S/c21-13-5-1-11(2-6-13)16-15(17(25)12-3-7-14(22)8-4-12)18(26)19(27)24(16)20-23-9-10-28-20/h1-10,16,25H/t16-/m1/s1 |
| InChIK | CEADUZPXBWGMOR-MRXNPFEDSA-N |
| TotalMolweight | 431.298 |
| Molweight | 431.298 |
| MonoisotopicMass | 429.994567 |
| CLogP | 4.2716 |
| CLogS | -5.198 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.39 |
| Relative PSA | 0.25329 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | 0.23177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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