(4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C23H21N2O4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H21N2O4Cl2F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\[C@H](c(cc1)cc(Cl)c1Cl)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H21Cl2FN2O4/c24-17-6-3-15(13-18(17)25)20-19(21(29)14-1-4-16(26)5-2-14)22(30)23(31)28(20)8-7-27-9-11-32-12-10-27/h1-6,13,20,29H,7-12H2/t20-/m0/s1 |
| InChIK | RQCSLWZMHDJYMX-FQEVSTJZSA-N |
| TotalMolweight | 479.334 |
| Molweight | 479.334 |
| MonoisotopicMass | 478.08624 |
| CLogP | 2.9207 |
| CLogS | -3.424 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.64 |
| Relative PSA | 0.16868 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | -0.52973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E,5S)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off