(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
Formula:C15H10N2O2BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C15H10N2O2BrFS |
| Smiles | O=C(/C(/N1)=C/c(s2)ccc2Br)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C15H10BrFN2O2S/c16-13-6-5-10(22-13)7-12-14(20)19(15(21)18-12)8-9-3-1-2-4-11(9)17/h1-7H,8H2,(H,18,21) |
| InChIK | KRTGMJYGTDIMHH-UHFFFAOYSA-N |
| TotalMolweight | 381.224 |
| Molweight | 381.224 |
| MonoisotopicMass | 379.963037 |
| CLogP | 3.4366 |
| CLogS | -4.872 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.17 |
| Relative PSA | 0.26019 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 1.1494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
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