(5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Formula:C21H19N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C21H19N4O4F |
| Smiles | [O-][N+](c1ccc(CN(C(/C(/N2)=C/c(cc3)cc(F)c3N3CCCC3)=O)C2=O)cc1)=O |
| InChI | InChI=1S/C21H19FN4O4/c22-17-11-15(5-8-19(17)24-9-1-2-10-24)12-18-20(27)25(21(28)23-18)13-14-3-6-16(7-4-14)26(29)30/h3-8,11-12H,1-2,9-10,13H2,(H,23,28) |
| InChIK | LWGUNNGWAWCPTO-UHFFFAOYSA-N |
| TotalMolweight | 410.404 |
| Molweight | 410.404 |
| MonoisotopicMass | 410.139034 |
| CLogP | 2.2095 |
| CLogS | -5.193 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 297.11 |
| Relative PSA | 0.25263 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | -1.4548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off