(4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C24H23N2O4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H23N2O4Cl2F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(ccc(Cl)c1)c1Cl)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H23Cl2FN2O4/c25-16-4-7-18(19(26)14-16)21-20(22(30)15-2-5-17(27)6-3-15)23(31)24(32)29(21)9-1-8-28-10-12-33-13-11-28/h2-7,14,21,30H,1,8-13H2/t21-/m1/s1 |
| InChIK | RKMXHCKHXNINTG-OAQYLSRUSA-N |
| TotalMolweight | 493.361 |
| Molweight | 493.361 |
| MonoisotopicMass | 492.10189 |
| CLogP | 3.3751 |
| CLogS | -3.694 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.4 |
| Relative PSA | 0.162 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | -0.48527 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
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