(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Formula:C24H12N2O3Cl3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H12N2O3Cl3FS |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)cc(Cl)c1Cl)N(C1=O)c2nc(ccc(F)c3)c3s2)/C1=O |
| InChI | InChI=1S/C24H12Cl3FN2O3S/c25-13-4-1-11(2-5-13)21(31)19-20(12-3-7-15(26)16(27)9-12)30(23(33)22(19)32)24-29-17-8-6-14(28)10-18(17)34-24/h1-10,20,31H/t20-/m1/s1 |
| InChIK | JZZQHOHKXVVLLN-HXUWFJFHSA-N |
| TotalMolweight | 533.793 |
| Molweight | 533.793 |
| MonoisotopicMass | 531.961822 |
| CLogP | 6.1555 |
| CLogS | -7.482 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.76 |
| Relative PSA | 0.21235 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | -1.4499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dichlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
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