(5Z)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
Formula:C18H12N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C18H12N2O2F4 |
| Smiles | O=C(/C(/N1)=C/c2cc(C(F)(F)F)ccc2)N(Cc(cccc2)c2F)C1=O |
| InChI | InChI=1S/C18H12F4N2O2/c19-14-7-2-1-5-12(14)10-24-16(25)15(23-17(24)26)9-11-4-3-6-13(8-11)18(20,21)22/h1-9H,10H2,(H,23,26) |
| InChIK | YBUGFHWHIJWZNO-UHFFFAOYSA-N |
| TotalMolweight | 364.297 |
| Molweight | 364.297 |
| MonoisotopicMass | 364.08349 |
| CLogP | 3.4884 |
| CLogS | -4.789 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.06 |
| Relative PSA | 0.16367 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -2.3335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
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