(4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Formula:C23H15N2O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H15N2O3Cl2F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\[C@H](c(cc1)cc(Cl)c1Cl)N(Cc1cnccc1)C1=O)/C1=O |
| InChI | InChI=1S/C23H15Cl2FN2O3/c24-17-8-5-15(10-18(17)25)20-19(21(29)14-3-6-16(26)7-4-14)22(30)23(31)28(20)12-13-2-1-9-27-11-13/h1-11,20,29H,12H2/t20-/m0/s1 |
| InChIK | ICBYXGYTXHRATO-FQEVSTJZSA-N |
| TotalMolweight | 457.287 |
| Molweight | 457.287 |
| MonoisotopicMass | 456.044375 |
| CLogP | 3.6691 |
| CLogS | -4.462 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.56 |
| Relative PSA | 0.16964 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -0.7388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
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