(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
Formula:C20H14N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C20H14N2O3BrF |
| Smiles | C#CCOc(ccc(/C=C(\C(N1Cc(cccc2)c2F)=O)/NC1=O)c1)c1Br |
| InChI | InChI=1S/C20H14BrFN2O3/c1-2-9-27-18-8-7-13(10-15(18)21)11-17-19(25)24(20(26)23-17)12-14-5-3-4-6-16(14)22/h1,3-8,10-11H,9,12H2,(H,23,26) |
| InChIK | BIIOLCRNFVQJED-UHFFFAOYSA-N |
| TotalMolweight | 429.244 |
| Molweight | 429.244 |
| MonoisotopicMass | 428.017182 |
| CLogP | 3.3225 |
| CLogS | -5.487 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.8 |
| Relative PSA | 0.17752 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.5691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5E)-5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
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