(5E)-3-[(4-bromophenyl)methyl]-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
Formula:C17H12N2O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-bromophenyl)methyl]-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-bromophenyl)methyl]-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2BrF |
| Smiles | O=C(/C(/N1)=C\c2cc(F)ccc2)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C17H12BrFN2O2/c18-13-6-4-11(5-7-13)10-21-16(22)15(20-17(21)23)9-12-2-1-3-14(19)8-12/h1-9H,10H2,(H,20,23) |
| InChIK | XPJSHOPOAOTHOO-UHFFFAOYSA-N |
| TotalMolweight | 375.196 |
| Molweight | 375.196 |
| MonoisotopicMass | 374.006617 |
| CLogP | 3.3653 |
| CLogS | -4.845 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.23 |
| Relative PSA | 0.17104 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 1.7265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5E)-3-[(4-bromophenyl)methyl]-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-bromophenyl)methyl]-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
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